Citraconic acid

enlarge

Systematic / IUPAC Name: (2E)-2-Methyl-2-butenedioic acid

ID: Reference351

Other Names: Methylmaleic acid;
cis-Methylbutenedioic acid;
2-Methylmaleic acid;
2-Methyl-2-butenedioic acid;
(Z)-2-Methyl-2-butenedioic acid ; more

Formula: C5H6O4

Class: Endogenous Metabolites Industrial Chemicals

Spectral Data

Citraconic 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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 259
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 10/11/2016 9:42:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChI Key HNEGQIOMVPPMNR-IHWYPQMZSA-N
Canonical SMILES CC(=CC(=O)O)C(=O)O
CAS 498237
Splash
Other Names Methylmaleic acid;
cis-Methylbutenedioic acid;
2-Methylmaleic acid;
2-Methyl-2-butenedioic acid;
(Z)-2-Methyl-2-butenedioic acid;
(2Z)-2-Methylbut-2-enedioic acid;
2-Butenedioic acid, 2-methyl-, (Z)-;
(Z)-2-Methyl-2-butenedioate;
2-Butenedioic acid, 2-methyl-, (2Z)-;
Citraconate

In Other Databases

ChemSpider 553689
HMDb HMDB00634
ChemIDPlus 000498248; 059235733; 051490336; 000498237; 007407592
PubChem 643798
Wikipedia Citraconic acid
KEGG C01732; C02226
ChEBI CHEBI:17626