CID 541782

860011-60-5

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

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

InChI

InChI=1S/C4H5N3O2/c5-4-6-1-2(7-4)3(8)9/h1H,(H,8,9)(H3,5,6,7)

InChIKey

YTYZMZQDGZMTJM-UHFFFAOYSA-N

Compound name

2-amino-1H-imidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 346
Patents: 127.03818 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]+	128.04546	122.5
[M+Na]+	150.02740	131.1
[M-H]-	126.03090	121.0
[M+NH4]+	145.07200	141.8
[M+K]+	166.00134	129.1
[M+H-H2O]+	110.03544	116.1
[M+HCOO]-	172.03638	143.9
[M+CH3COO]-	186.05203	166.0
[M+Na-2H]-	148.01285	127.3
[M]+	127.03763	118.6
[M]-	127.03873	118.6

Literature stripe

literature stripe

Patent stripe

patents stripe