CID 15146

Methyl 3-hydroxybutyrate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CC(CC(=O)OC)O

InChI

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

InChIKey

LDLDJEAVRNAEBW-UHFFFAOYSA-N

Compound name

methyl 3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 18
References: 2194
Patents: 118.062996 Da
Monoisotopic Mass: -0.2
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	123.1
[M+Na]+	141.05221	132.3
[M+NH4]+	136.09682	130.1
[M+K]+	157.02615	129.0
[M-H]-	117.05572	121.1
[M+Na-2H]-	139.03766	125.7
[M]+	118.06245	123.5
[M]-	118.06354	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe