CID 521979

Methyl 3-hydroxy-3-methylbutanoate

Structural Information

Molecular Formula
C6H12O3
SMILES
CC(C)(CC(=O)OC)O
InChI
InChI=1S/C6H12O3/c1-6(2,8)4-5(7)9-3/h8H,4H2,1-3H3
InChIKey
JNURPEZKOSMRMZ-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

132.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 127.1
[M+Na]+ 155.06786 136.2
[M+NH4]+ 150.11246 133.9
[M+K]+ 171.04180 133.1
[M-H]- 131.07136 124.6
[M+Na-2H]- 153.05331 129.7
[M]+ 132.07809 127.4
[M]- 132.07919 127.4
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