CID 11041381

188612-53-5

Structural Information

Molecular Formula

C₆H₉N₅O₂

SMILES

CNC(=O)N1C=NC(=C1N)C(=O)N

InChI

InChI=1S/C6H9N5O2/c1-9-6(13)11-2-10-3(4(11)7)5(8)12/h2H,7H2,1H3,(H2,8,12)(H,9,13)

InChIKey

AGQNTADHDRGUOT-UHFFFAOYSA-N

Compound name

5-amino-1-N-methylimidazole-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 183.07562 Da
Monoisotopic Mass: -0.9
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]+	184.08290	137.7
[M+Na]+	206.06484	144.4
[M+NH4]+	201.10944	142.5
[M+K]+	222.03878	144.6
[M-H]-	182.06834	137.0
[M+Na-2H]-	204.05029	140.2
[M]+	183.07507	137.6
[M]-	183.07617	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe