2,2-Dimethylsuccinic acid

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Systematic / IUPAC Name: 2,2-Dimethylbutanedioic acid

ID: Reference129

Other Names: 2,2-Dimethylbutanedioate;
2,2-Dimethyl succinate;
α,α-Dimethyl-succinate;
Succinic acid, 2,2-dimethyl-;
Butanedioic acid, 2,2-dimethyl- ; more

Formula: C6H10O4

Class: Endogenous Metabolites

Spectral Data

2,2-Dimethylsuccinic 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
No. of Spectral Trees 1
No. of Spectra 182
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2014 2:38:00 PM
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Identificators

InChI InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChI Key GOHPTLYPQCTZSE-UHFFFAOYSA-N
Canonical SMILES CC(C)(CC(=O)O)C(=O)O
CAS 597433
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Other Names 2,2-Dimethylbutanedioate;
2,2-Dimethyl succinate;
α,α-Dimethyl-succinate;
Succinic acid, 2,2-dimethyl-;
Butanedioic acid, 2,2-dimethyl-;
α,α-Dimethyl-succinic acid;
2,2-Dimethylbutane-1,4-dioic acid

In Other Databases

ChemIDPlus 000597433
PubChem 11701
ChemSpider 11209
HMDb HMDB02074