CID 83066557

2-methyl-3-(1h-1,2,4-triazol-1-yl)pyrazine

Structural Information

Molecular Formula
C7H7N5
SMILES
CC1=NC=CN=C1N2C=NC=N2
InChI
InChI=1S/C7H7N5/c1-6-7(10-3-2-9-6)12-5-8-4-11-12/h2-5H,1H3
InChIKey
URVIORRNLWLJHY-UHFFFAOYSA-N
Compound name
2-methyl-3-(1,2,4-triazol-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.07014 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07742 132.4
[M+Na]+ 184.05936 143.1
[M-H]- 160.06286 132.9
[M+NH4]+ 179.10396 147.9
[M+K]+ 200.03330 140.1
[M+H-H2O]+ 144.06740 122.4
[M+HCOO]- 206.06834 153.0
[M+CH3COO]- 220.08399 145.3
[M+Na-2H]- 182.04481 140.4
[M]+ 161.06959 132.6
[M]- 161.07069 132.6
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.