CID 3067014

Brn 5017916

Structural Information

Molecular Formula
C6H11N7O
SMILES
CNC1=C(N=NC(=N1)NN)C(=O)NC
InChI
InChI=1S/C6H11N7O/c1-8-4-3(5(14)9-2)12-13-6(10-4)11-7/h7H2,1-2H3,(H,9,14)(H2,8,10,11,13)
InChIKey
HFYUOVUAFYIWAY-UHFFFAOYSA-N
Compound name
3-hydrazinyl-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10251 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10979 141.9
[M+Na]+ 220.09173 149.2
[M-H]- 196.09523 142.1
[M+NH4]+ 215.13633 156.0
[M+K]+ 236.06567 147.4
[M+H-H2O]+ 180.09977 133.0
[M+HCOO]- 242.10071 166.4
[M+CH3COO]- 256.11636 194.1
[M+Na-2H]- 218.07718 149.8
[M]+ 197.10196 139.1
[M]- 197.10306 139.1
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.