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]+ 191.067576 138.3
[M+Na]+ 213.049518 147.9
[M-H]- 189.053024 138.8
[M+NH4]+ 208.094123 151.9
[M+K]+ 229.023458 144.9
[M+H-H2O]+ 173.057560 128.1
[M+HCOO]- 235.058501 158.8
[M+CH3COO]- 249.074151 150.3
[M+Na-2H]- 211.034966 145.0
[M]+ 190.05975142 137.0
[M]- 190.06084858 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.