CID 15221532

2-hydroxy-2-(1h-imidazol-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

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

InChI

InChI=1S/C5H6N2O3/c8-4(5(9)10)3-1-6-2-7-3/h1-2,4,8H,(H,6,7)(H,9,10)

InChIKey

YNSMBKRAYNVKBN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 142.03784 Da
Monoisotopic Mass: -1.0
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]+	143.04512	127.1
[M+Na]+	165.02706	134.4
[M-H]-	141.03056	124.3
[M+NH4]+	160.07166	145.2
[M+K]+	181.00100	132.7
[M+H-H2O]+	125.03510	120.8
[M+HCOO]-	187.03604	145.4
[M+CH3COO]-	201.05169	164.0
[M+Na-2H]-	163.01251	131.0
[M]+	142.03729	123.9
[M]-	142.03839	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe