CID 107802

3-hydroxypentanoic acid

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CCC(CC(=O)O)O

InChI

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

InChIKey

REKYPYSUBKSCAT-UHFFFAOYSA-N

Compound name

3-hydroxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 224
References: 15727
Patents: 118.062996 Da
Monoisotopic Mass: 0.0
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	123.8
[M+Na]+	141.05221	130.4
[M-H]-	117.05572	121.6
[M+NH4]+	136.09682	144.9
[M+K]+	157.02615	130.3
[M+H-H2O]+	101.06026	119.8
[M+HCOO]-	163.06120	143.8
[M+CH3COO]-	177.07685	165.6
[M+Na-2H]-	139.03766	127.8
[M]+	118.06245	123.2
[M]-	118.06354	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe