CID 18794854

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

Structural Information

Molecular Formula
C7H6N4
SMILES
C1=CC(=CN=C1)N2C=CN=N2
InChI
InChI=1S/C7H6N4/c1-2-7(6-8-3-1)11-5-4-9-10-11/h1-6H
InChIKey
WIMCHGXHLGATQM-UHFFFAOYSA-N
Compound name
3-(triazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

146.05925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.066526 126.9
[M+Na]+ 169.048468 136.6
[M-H]- 145.051974 128.4
[M+NH4]+ 164.093073 144.2
[M+K]+ 185.022408 134.0
[M+H-H2O]+ 129.056510 117.4
[M+HCOO]- 191.057451 149.0
[M+CH3COO]- 205.073101 140.4
[M+Na-2H]- 167.033916 136.0
[M]+ 146.05870142 126.3
[M]- 146.05979858 126.3
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