CID 6155526

24587-49-3

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

C(/C=C/C(=O)O)O

InChI

InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+

InChIKey

RMQJECWPWQIIPW-OWOJBTEDSA-N

Compound name

(E)-4-hydroxybut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 345
Patents: 102.03169 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]+	103.03897	118.4
[M+Na]+	125.02091	127.6
[M+NH4]+	120.06551	125.0
[M+K]+	140.99485	123.9
[M-H]-	101.02441	115.8
[M+Na-2H]-	123.00636	120.8
[M]+	102.03114	118.5
[M]-	102.03224	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe