CID 46209955

2-methyl-6-(1h-1,2,4-triazol-1-yl)pyridine

Structural Information

Molecular Formula
C8H8N4
SMILES
CC1=NC(=CC=C1)N2C=NC=N2
InChI
InChI=1S/C8H8N4/c1-7-3-2-4-8(11-7)12-6-9-5-10-12/h2-6H,1H3
InChIKey
RFJLMFBHNCKSEU-UHFFFAOYSA-N
Compound name
2-methyl-6-(1,2,4-triazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

160.07489 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 132.2
[M+Na]+ 183.06411 146.8
[M+NH4]+ 178.10871 140.1
[M+K]+ 199.03805 142.0
[M-H]- 159.06761 134.1
[M+Na-2H]- 181.04956 141.6
[M]+ 160.07434 134.8
[M]- 160.07544 134.8
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

patents stripe