CID 479372

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

Structural Information

Molecular Formula
C7H4N6
SMILES
C1=C(N=C(C=N1)N2C=NC=N2)C#N
InChI
InChI=1S/C7H4N6/c8-1-6-2-9-3-7(12-6)13-5-10-4-11-13/h2-5H
InChIKey
YIEXOOLYCVIQCL-UHFFFAOYSA-N
Compound name
6-(1,2,4-triazol-1-yl)pyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

172.04974 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05702 129.3
[M+Na]+ 195.03896 140.1
[M-H]- 171.04246 127.5
[M+NH4]+ 190.08356 141.8
[M+K]+ 211.01290 136.8
[M+H-H2O]+ 155.04700 111.5
[M+HCOO]- 217.04794 145.6
[M+CH3COO]- 231.06359 140.0
[M+Na-2H]- 193.02441 136.6
[M]+ 172.04919 123.6
[M]- 172.05029 123.6
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.