CID 10413

4-hydroxybutanoic acid

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

C(CC(=O)O)CO

InChI

InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)

InChIKey

SJZRECIVHVDYJC-UHFFFAOYSA-N

Compound name

4-hydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 3220
References: 71485
Patents: 104.04734 Da
Monoisotopic Mass: -0.6
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]+	105.05462	118.8
[M+Na]+	127.03656	128.0
[M+NH4]+	122.08116	125.7
[M+K]+	143.01050	124.4
[M-H]-	103.04006	116.4
[M+Na-2H]-	125.02201	121.4
[M]+	104.04679	119.0
[M]-	104.04789	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe