CID 135493930

Nsc684047

Structural Information

Molecular Formula
C5H9N7O
SMILES
CN(N)/N=N/C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C5H9N7O/c1-12(7)11-10-5-3(4(6)13)8-2-9-5/h2H,7H2,1H3,(H2,6,13)(H,8,9)/b11-10+
InChIKey
XWFIERMHXBDFMK-ZHACJKMWSA-N
Compound name
4-[(E)-[amino(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08685 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09413 134.2
[M+Na]+ 206.07607 140.6
[M-H]- 182.07957 137.9
[M+NH4]+ 201.12067 152.2
[M+K]+ 222.05001 141.2
[M+H-H2O]+ 166.08411 125.0
[M+HCOO]- 228.08505 163.6
[M+CH3COO]- 242.10070 196.5
[M+Na-2H]- 204.06152 140.3
[M]+ 183.08630 131.4
[M]- 183.08740 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.