CID 152968

3-hydroxy-2-methylpentanoic acid

Structural Information

Molecular Formula
C6H12O3
SMILES
CCC(C(C)C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
InChIKey
NVIHALDXJWGLFD-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

304
Patents

132.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 128.2
[M+Na]+ 155.06786 136.2
[M+NH4]+ 150.11246 134.5
[M+K]+ 171.04180 133.8
[M-H]- 131.07136 125.3
[M+Na-2H]- 153.05331 129.4
[M]+ 132.07809 128.0
[M]- 132.07919 128.0
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