CID 520445

Methyl 2-hydroxybutanoate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CCC(C(=O)OC)O

InChI

InChI=1S/C5H10O3/c1-3-4(6)5(7)8-2/h4,6H,3H2,1-2H3

InChIKey

DDMCDMDOHABRHD-UHFFFAOYSA-N

Compound name

methyl 2-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 989
Patents: 118.062996 Da
Monoisotopic Mass: 0.4
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	123.0
[M+Na]+	141.05221	130.1
[M-H]-	117.05572	122.3
[M+NH4]+	136.09682	144.9
[M+K]+	157.02615	131.0
[M+H-H2O]+	101.06026	118.9
[M+HCOO]-	163.06120	144.6
[M+CH3COO]-	177.07685	167.5
[M+Na-2H]-	139.03766	127.6
[M]+	118.06245	124.3
[M]-	118.06354	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe