CID 75024

Methyl alpha-hydroxyisobutyrate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CC(C)(C(=O)OC)O

InChI

InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3

InChIKey

XYVQFUJDGOBPQI-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 16022
Patents: 118.062996 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	119.070272	122.1
[M+Na]+	141.052214	130.0
[M-H]-	117.055720	121.6
[M+NH4]+	136.096819	144.3
[M+K]+	157.026154	130.8
[M+H-H2O]+	101.060256	118.7
[M+HCOO]-	163.061197	143.2
[M+CH3COO]-	177.076847	166.9
[M+Na-2H]-	139.037662	128.8
[M]+	118.06244742	123.6
[M]-	118.06354458	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe