1.0
2020-04-20 17:26:08 UTC
2020-04-21 18:02:13 UTC
FDB112172
Methyl propenyl ketone
C5H8O
84.1164
84.057514878
C\C=C\C(C)=O
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
LABTWGUMFABVFG-ONEGZZNKSA-N
belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'.
Enones
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
Aliphatic acyclic compounds
Acryloyl compounds
Hydrocarbon derivatives
Ketones
Organic oxides
Acryloyl-group
Aliphatic acyclic compound
Enone
Hydrocarbon derivative
Ketone
Organic oxide
Oxygenated hydrocarbons
average_mass
84.1164
mono_mass
84.057514878
smiles
C\C=C\C(C)=O
formula
C5H8O
inchi
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
inchikey
LABTWGUMFABVFG-ONEGZZNKSA-N
Specdb::EiMs
1988
Specdb::MsIr
1122
Specdb::MsIr
1123
Specdb::NmrTwoD
1598
Specdb::CMs
13706
Specdb::CMs
165176
Specdb::NmrOneD
1657
Specdb::NmrOneD
8862
Specdb::NmrOneD
8863
Specdb::NmrOneD
8864
Specdb::NmrOneD
8865
Specdb::NmrOneD
8866
Specdb::NmrOneD
8867
Specdb::NmrOneD
8868
Specdb::NmrOneD
8869
Specdb::NmrOneD
8870
Specdb::NmrOneD
8871
Specdb::NmrOneD
8872
Specdb::NmrOneD
8873
Specdb::NmrOneD
8874
Specdb::NmrOneD
8875
Specdb::NmrOneD
8876
Specdb::NmrOneD
8877
Specdb::NmrOneD
8878
Specdb::NmrOneD
8879
Specdb::NmrOneD
8880
Specdb::NmrOneD
8881
Specdb::MsMs
1451
Specdb::MsMs
1452
Specdb::MsMs
1453
Specdb::MsMs
296203
Specdb::MsMs
296204
Specdb::MsMs
296205
Specdb::MsMs
337444
Specdb::MsMs
337445
Specdb::MsMs
337446
Specdb::MsMs
2457197
Specdb::MsMs
2457198
Specdb::MsMs
2457199
Specdb::MsMs
2481580
Specdb::MsMs
2481581
Specdb::MsMs
2481582
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823