Ethylmalonic acid

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Systematic / IUPAC Name: 2-Ethylpropanedioic acid

ID: Reference1188

Other Names: 2-Ethylmalonic acid;
Propanedioic acid, ethyl-;
1,1-Propanedicarboxylic acid;
Ethylmalonate;
Ethylpropanedioic acid ; more

Formula: C5H8O4

Class: Industrial Chemicals Endogenous Metabolites

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 199
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/17/2016 7:14:34 AM
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Identificators

InChI InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChI Key UKFXDFUAPNAMPJ-UHFFFAOYSA-N
Canonical SMILES CCC(C(=O)O)C(=O)O
CAS 601752
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Other Names 2-Ethylmalonic acid;
Propanedioic acid, ethyl-;
1,1-Propanedicarboxylic acid;
Ethylmalonate;
Ethylpropanedioic acid;
Malonic acid, ethyl-;
Ethyl malonic acid;
1,1-Propanedicarboxylate;
α-Carboxybutyric acid;
α-Carboxybutyrate

In Other Databases

ChemIDPlus 000601752
HMDb HMDB00622
ChEBI CHEBI:741548
PubChem 11756
ChemSpider 11263
ChEMBL CHEMBL1160009