CID 24702432

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

Structural Information

Molecular Formula
C8H5N5
SMILES
C1=CC(=C(N=C1)N2C=NC=N2)C#N
InChI
InChI=1S/C8H5N5/c9-4-7-2-1-3-11-8(7)13-6-10-5-12-13/h1-3,5-6H
InChIKey
DXMJLLQDQULJIK-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.05449 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06177 131.0
[M+Na]+ 194.04371 141.8
[M-H]- 170.04721 130.6
[M+NH4]+ 189.08831 144.9
[M+K]+ 210.01765 138.1
[M+H-H2O]+ 154.05175 113.9
[M+HCOO]- 216.05269 148.4
[M+CH3COO]- 230.06834 142.1
[M+Na-2H]- 192.02916 137.9
[M]+ 171.05394 125.3
[M]- 171.05504 125.3
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