CID 17039219

3-(3-cyclohexyl-1h-1,2,4-triazol-5-yl)pyridine

Structural Information

Molecular Formula
C13H16N4
SMILES
C1CCC(CC1)C2=NC(=NN2)C3=CN=CC=C3
InChI
InChI=1S/C13H16N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h4,7-10H,1-3,5-6H2,(H,15,16,17)
InChIKey
CKSUQPRNBBIFGA-UHFFFAOYSA-N
Compound name
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1375 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 152.9
[M+Na]+ 251.12672 158.6
[M-H]- 227.13022 155.0
[M+NH4]+ 246.17132 165.6
[M+K]+ 267.10066 153.3
[M+H-H2O]+ 211.13476 141.8
[M+HCOO]- 273.13570 168.5
[M+CH3COO]- 287.15135 162.6
[M+Na-2H]- 249.11217 156.6
[M]+ 228.13695 146.0
[M]- 228.13805 146.0
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

No patent data available for this compound.