CID 552631

Methyl 2-hydroxy-3-methylbutanoate

Structural Information

Molecular Formula
C6H12O3
SMILES
CC(C)C(C(=O)OC)O
InChI
InChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3
InChIKey
YSGBMDFJWFIEDF-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10530
Patents

132.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 127.7
[M+Na]+ 155.06786 134.2
[M-H]- 131.07136 126.8
[M+NH4]+ 150.11246 149.0
[M+K]+ 171.04180 135.3
[M+H-H2O]+ 115.07590 123.5
[M+HCOO]- 177.07684 148.0
[M+CH3COO]- 191.09249 171.5
[M+Na-2H]- 153.05331 130.5
[M]+ 132.07809 128.7
[M]- 132.07919 128.7
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