CID 12888425

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

Structural Information

Molecular Formula
C7H6N4
SMILES
C1=CN=CC=C1N2C=NN=C2
InChI
InChI=1S/C7H6N4/c1-3-8-4-2-7(1)11-5-9-10-6-11/h1-6H
InChIKey
HGBIXRBWIWLVML-UHFFFAOYSA-N
Compound name
4-(1,2,4-triazol-4-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

146.05925 Da
Monoisotopic Mass

0.0
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

No literature data available for this compound.

Patent stripe

patents stripe