CID 75024

Methyl 2-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: 16973
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]+	119.07027	122.1
[M+Na]+	141.05221	130.0
[M-H]-	117.05572	121.6
[M+NH4]+	136.09682	144.3
[M+K]+	157.02615	130.8
[M+H-H2O]+	101.06026	118.7
[M+HCOO]-	163.06120	143.2
[M+CH3COO]-	177.07685	166.9
[M+Na-2H]-	139.03766	128.8
[M]+	118.06245	123.6
[M]-	118.06354	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe