CID 457575

6-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C7H6N6O
SMILES
C1=C(N=C(C=N1)N2C=NC=N2)C(=O)N
InChI
InChI=1S/C7H6N6O/c8-7(14)5-1-9-2-6(12-5)13-4-10-3-11-13/h1-4H,(H2,8,14)
InChIKey
UJAAGTCNVFZKLN-UHFFFAOYSA-N
Compound name
6-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

190.0603 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06758 138.3
[M+Na]+ 213.04952 147.9
[M-H]- 189.05302 138.8
[M+NH4]+ 208.09412 151.9
[M+K]+ 229.02346 144.9
[M+H-H2O]+ 173.05756 128.1
[M+HCOO]- 235.05850 158.8
[M+CH3COO]- 249.07415 150.3
[M+Na-2H]- 211.03497 145.0
[M]+ 190.05975 137.0
[M]- 190.06085 137.0
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

No patent data available for this compound.