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

10
Patents

160.07489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.082166 131.8
[M+Na]+ 183.064108 142.1
[M-H]- 159.067614 133.6
[M+NH4]+ 178.108713 148.9
[M+K]+ 199.038048 139.1
[M+H-H2O]+ 143.072150 122.4
[M+HCOO]- 205.073091 153.6
[M+CH3COO]- 219.088741 145.2
[M+Na-2H]- 181.049556 139.6
[M]+ 160.07434142 132.0
[M]- 160.07543858 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