CID 9942176

369363-76-8

Structural Information

Molecular Formula
C7H6N4
SMILES
C1=CN=CC=C1C2=NNN=C2
InChI
InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
InChIKey
KEFBRERBEDJOQZ-UHFFFAOYSA-N
Compound name
4-(2H-triazol-4-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

68
Patents

146.05925 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06653 127.5
[M+Na]+ 169.04847 136.8
[M-H]- 145.05197 127.8
[M+NH4]+ 164.09307 144.2
[M+K]+ 185.02241 133.3
[M+H-H2O]+ 129.05651 118.4
[M+HCOO]- 191.05745 148.1
[M+CH3COO]- 205.07310 140.4
[M+Na-2H]- 167.03392 136.2
[M]+ 146.05870 125.1
[M]- 146.05980 125.1
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