CID 440571

5-hydroxyimidazole-4-acetate

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

C1=NC(=C(N1)CC(=O)O)O

InChI

InChI=1S/C5H6N2O3/c8-4(9)1-3-5(10)7-2-6-3/h2,10H,1H2,(H,6,7)(H,8,9)

InChIKey

YHUKSLQXRSAEOH-UHFFFAOYSA-N

Compound name

2-(4-hydroxy-1H-imidazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 142.03784 Da
Monoisotopic Mass: -0.5
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]+	143.04512	127.5
[M+Na]+	165.02706	136.6
[M+NH4]+	160.07166	133.1
[M+K]+	181.00100	135.7
[M-H]-	141.03056	124.7
[M+Na-2H]-	163.01251	130.4
[M]+	142.03729	127.4
[M]-	142.03839	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe