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 132.0
[M+Na]+ 184.05936 146.5
[M+NH4]+ 179.10396 139.2
[M+K]+ 200.03330 142.3
[M-H]- 160.06286 133.0
[M+Na-2H]- 182.04481 141.1
[M]+ 161.06959 134.2
[M]- 161.07069 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.