CID 76953

Mtic

Structural Information

Molecular Formula
C5H8N6O
SMILES
CN=NNC1=C(NC=N1)C(=O)N
InChI
InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)
InChIKey
MVBPAIHFZZKRGD-UHFFFAOYSA-N
Compound name
4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

50
References

1306
Patents

168.07596 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08324 132.7
[M+Na]+ 191.06518 139.5
[M+NH4]+ 186.10978 138.3
[M+K]+ 207.03912 138.4
[M-H]- 167.06868 133.6
[M+Na-2H]- 189.05063 137.3
[M]+ 168.07541 133.1
[M]- 168.07651 133.1
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