CID 301941

2,3-dihydroxy-2-methylbutanoic acid

Structural Information

Molecular Formula
C5H10O4
SMILES
CC(C(C)(C(=O)O)O)O
InChI
InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)
InChIKey
AOWPAWLEXIYETE-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

301
Patents

134.0579 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.065176 126.3
[M+Na]+ 157.047118 132.9
[M-H]- 133.050624 122.9
[M+NH4]+ 152.091723 146.1
[M+K]+ 173.021058 132.8
[M+H-H2O]+ 117.055160 123.0
[M+HCOO]- 179.056101 143.5
[M+CH3COO]- 193.071751 165.5
[M+Na-2H]- 155.032566 130.6
[M]+ 134.05735142 124.8
[M]- 134.05844858 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe