CID 96215

645-65-8

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

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

InChI

InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)

InChIKey

PRJKNHOMHKJCEJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 149
References: 3724
Patents: 126.04293 Da
Monoisotopic Mass: -0.4
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]+	127.05021	124.2
[M+Na]+	149.03215	134.0
[M+NH4]+	144.07675	130.7
[M+K]+	165.00609	132.0
[M-H]-	125.03565	122.4
[M+Na-2H]-	147.01760	128.4
[M]+	126.04238	124.6
[M]-	126.04348	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe