CID 21853004

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

Structural Information

Molecular Formula
C8H8N4
SMILES
CN1C=NN=C1C2=CC=NC=C2
InChI
InChI=1S/C8H8N4/c1-12-6-10-11-8(12)7-2-4-9-5-3-7/h2-6H,1H3
InChIKey
BZDDCTCQFWOJMO-UHFFFAOYSA-N
Compound name
4-(4-methyl-1,2,4-triazol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.07489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 131.8
[M+Na]+ 183.06411 142.1
[M-H]- 159.06761 133.6
[M+NH4]+ 178.10871 148.9
[M+K]+ 199.03805 139.1
[M+H-H2O]+ 143.07215 122.4
[M+HCOO]- 205.07309 153.6
[M+CH3COO]- 219.08874 145.2
[M+Na-2H]- 181.04956 139.6
[M]+ 160.07434 132.0
[M]- 160.07544 132.0
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