2-Hydroxyisovaleric acid

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Systematic / IUPAC Name: 2-Hydroxy-3-methylbutanoic acid

ID: Reference151

Other Names: 2-Hydroxy-3-methylbutyric acid;
2-Hydroxyisopentanoic acid;
α-Hydroxyisovaleric acid;
α-Hydroxyisovalerate;
Butanoic acid, 2-hydroxy-3-methyl-

Formula: C5H10O3

Class: Endogenous Metabolites

Spectral Data

2-Hydroxyisovaleric 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 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/10/2014 10:25:01 AM
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Identificators

InChI InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
InChI Key NGEWQZIDQIYUNV-UHFFFAOYSA-N
Canonical SMILES CC(C)C(C(=O)O)O
CAS 4026180
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Other Names 2-Hydroxy-3-methylbutyric acid;
2-Hydroxyisopentanoic acid;
α-Hydroxyisovaleric acid;
α-Hydroxyisovalerate;
Butanoic acid, 2-hydroxy-3-methyl-

In Other Databases

PubChem 99823
ChEBI CHEBI:60645
ChemSpider 90190
ChEMBL CHEMBL1162479
ChemIDPlus 004026180; 000600373; 054641199; 057768964