CID 160534

600-17-9

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

C=CC(C(=O)O)O

InChI

InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2-3,5H,1H2,(H,6,7)

InChIKey

VBWPSWWDYVWZKA-UHFFFAOYSA-N

Compound name

2-hydroxybut-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1340
Patents: 102.03169 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]+	103.03897	117.6
[M+Na]+	125.02091	124.9
[M-H]-	101.02441	115.5
[M+NH4]+	120.06551	139.2
[M+K]+	140.99485	124.4
[M+H-H2O]+	85.028950	113.9
[M+HCOO]-	147.02989	138.1
[M+CH3COO]-	161.04554	161.6
[M+Na-2H]-	123.00636	122.1
[M]+	102.03114	115.9
[M]-	102.03224	115.9

Literature stripe

literature stripe

Patent stripe

patents stripe