CID 172026

67951-43-3

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C=CCC(C(=O)O)O

InChI

InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2,4,6H,1,3H2,(H,7,8)

InChIKey

VFSVBYJVPHDQQC-UHFFFAOYSA-N

Compound name

2-hydroxypent-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 230
Patents: 116.04734 Da
Monoisotopic Mass: 0.3
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]+	117.05462	122.2
[M+Na]+	139.03656	129.1
[M-H]-	115.04006	120.0
[M+NH4]+	134.08116	143.3
[M+K]+	155.01050	128.4
[M+H-H2O]+	99.044600	118.4
[M+HCOO]-	161.04554	142.5
[M+CH3COO]-	175.06119	164.6
[M+Na-2H]-	137.02201	126.3
[M]+	116.04679	120.9
[M]-	116.04789	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe