| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 00:13:57 UTC |
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| Update date | 2015-07-21 06:57:12 UTC |
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| Primary ID | FDB022436 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | N-Methylformamide |
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| Description | N-Methylformamide, also known as HCONHCH3 or NMF, belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group). N-Methylformamide has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make N-methylformamide a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on N-Methylformamide. |
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| CAS Number | 123-39-7 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C2H5NO |
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| IUPAC name | N-methylformamide |
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| InChI Identifier | InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4) |
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| InChI Key | ATHHXGZTWNVVOU-UHFFFAOYSA-N |
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| Isomeric SMILES | CNC=O |
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| Average Molecular Weight | 59.0672 |
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| Monoisotopic Molecular Weight | 59.037113787 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group). |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboximidic acids and derivatives |
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| Sub Class | Carboximidic acids |
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| Direct Parent | Carboximidic acids |
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| Alternative Parents | |
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| Substituents | - Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Imine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Disposition | Biological location: Source: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| GC-MS | N-Methylformamide, non-derivatized, GC-MS Spectrum | splash10-057i-9000000000-60a7888b3706e6c01b2b | Spectrum | | GC-MS | N-Methylformamide, non-derivatized, GC-MS Spectrum | splash10-057i-9000000000-60a7888b3706e6c01b2b | Spectrum | | Predicted GC-MS | N-Methylformamide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a59-9000000000-3d1c6f14cce05319e765 | Spectrum | | Predicted GC-MS | N-Methylformamide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-9000000000-efef2ef9adab060d9968 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03e9-9000000000-d4d4c6894b8830773c2a | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-ef803f2a719044681087 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a6r-9000000000-dbaf66b4271f4f119f54 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a6u-9000000000-82e7cd4cf5be3df7dced | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004l-9000000000-1e7aed11b63f593cd587 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-9000000000-0d3d5066ba65a1714c21 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-439ede5503e5f8b2f4fc | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-90726b17dc36e29c5299 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-9000000000-14d0958d7f503100d058 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01ox-9000000000-8ff4d86e2c774ca6af18 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-ff7f2c935a022bb6caf6 | 2021-09-25 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 28994 |
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| ChEMBL ID | CHEMBL9240 |
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| KEGG Compound ID | C11489 |
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| Pubchem Compound ID | 31254 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB01122 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | show |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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