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

1
Annotation Hits: 15
References: 640
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]+	103.038966	117.6
[M+Na]+	125.020908	125.2
[M-H]-	101.024414	115.5
[M+NH4]+	120.065513	139.3
[M+K]+	140.994848	124.3
[M+H-H2O]+	85.028950	113.9
[M+HCOO]-	147.029891	139.2
[M+CH3COO]-	161.045541	160.0
[M+Na-2H]-	123.006356	123.5
[M]+	102.03114142	116.5
[M]-	102.03223858	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe