CID 203621

14803-99-7

Structural Information

Molecular Formula
C7H6N4
SMILES
C1=CN=CC=C1C2=NC=NN2
InChI
InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChIKey
OYJDWYWNACFAQB-UHFFFAOYSA-N
Compound name
4-(1H-1,2,4-triazol-5-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

132
Patents

146.05925 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06653 128.2
[M+Na]+ 169.04847 142.0
[M+NH4]+ 164.09307 135.9
[M+K]+ 185.02241 137.6
[M-H]- 145.05197 129.5
[M+Na-2H]- 167.03392 137.4
[M]+ 146.05870 130.4
[M]- 146.05980 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe