CID 169580

4-hydroxy-2-methylenebutanoic acid

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C=C(CCO)C(=O)O

InChI

InChI=1S/C5H8O3/c1-4(2-3-6)5(7)8/h6H,1-3H2,(H,7,8)

InChIKey

NJMYQRVWBCSLEU-UHFFFAOYSA-N

Compound name

4-hydroxy-2-methylidenebutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 16102
Patents: 116.04734 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]+	117.05462	122.9
[M+Na]+	139.03656	131.6
[M+NH4]+	134.08116	129.2
[M+K]+	155.01050	128.5
[M-H]-	115.04006	120.0
[M+Na-2H]-	137.02201	124.7
[M]+	116.04679	122.8
[M]-	116.04789	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe