CID 90693344

2,6-di(2h-1,2,3-triazol-4-yl)pyridine

Structural Information

Molecular Formula
C9H7N7
SMILES
C1=CC(=NC(=C1)C2=NNN=C2)C3=NNN=C3
InChI
InChI=1S/C9H7N7/c1-2-6(8-4-10-15-13-8)12-7(3-1)9-5-11-16-14-9/h1-5H,(H,10,13,15)(H,11,14,16)
InChIKey
GTUXTIISPOXPEF-UHFFFAOYSA-N
Compound name
2,6-bis(2H-triazol-4-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

29
Patents

213.0763 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08358 143.3
[M+Na]+ 236.06552 154.4
[M-H]- 212.06902 143.0
[M+NH4]+ 231.11012 154.1
[M+K]+ 252.03946 148.3
[M+H-H2O]+ 196.07356 132.1
[M+HCOO]- 258.07450 161.0
[M+CH3COO]- 272.09015 154.3
[M+Na-2H]- 234.05097 149.4
[M]+ 213.07575 141.5
[M]- 213.07685 141.5
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