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

43
Patents

183.07562 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.082896 137.5
[M+Na]+ 206.064838 145.3
[M-H]- 182.068344 138.6
[M+NH4]+ 201.109443 155.2
[M+K]+ 222.038778 144.3
[M+H-H2O]+ 166.072880 129.8
[M+HCOO]- 228.073821 161.8
[M+CH3COO]- 242.089471 186.8
[M+Na-2H]- 204.050286 140.2
[M]+ 183.07507142 134.5
[M]- 183.07616858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe