Crotonic acid

enlarge

Systematic / IUPAC Name: (E)-But-2-enoic acid

ID: Reference2732

Other Names: α-Butenoate;
α-Butenoic acid;
α-Crotonic acid;
(E)-2-Butenoic acid;
(E)-Crotonic acid ; more

Formula: C4H6O2

Class: Extractables/Leachables Excipients/Additives/Colorants Industrial Chemicals Endogenous Metabolites

Spectral Data

Crotonic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 194
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/2/2015 2:10:05 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChI Key LDHQCZJRKDOVOX-NSCUHMNNSA-N
Canonical SMILES CC=CC(=O)O
CAS 107937
Splash
Other Names α-Butenoate;
α-Butenoic acid;
α-Crotonic acid;
(E)-2-Butenoic acid;
(E)-Crotonic acid;
(2E)-2-Butenoic acid;
(2E)-But-2-enoic acid;
trans-2-Butenoate;
trans-2-Butenoic acid;
trans-Crotonic acid;
2E-Butenoic acid;
2-Butenoate;
2-Butenoic acid;
2-Butenoic acid, (E)-;
2-Butenoic acid, (2E)-;
But-2-enoic acid;
Crotonic acid, (E)-;
β-Methacrylic acid;
β-Methylacrylic acid;
3-Methylacrylic acid;
Acrylic acid, 3-methyl-

In Other Databases

ChemSpider 552744
HMDb HMDB10720
KEGG C01771
DrugBank DB02074
LipidsMAPs LMFA01030195
ChEBI CHEBI:41131
ChemIDPlus 003724650; 000107937; 067785619; UM0610000
PubChem 637090
Wikipedia Crotonic_acid