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]+ 229.144776 152.9
[M+Na]+ 251.126718 158.6
[M-H]- 227.130224 155.0
[M+NH4]+ 246.171323 165.6
[M+K]+ 267.100658 153.3
[M+H-H2O]+ 211.134760 141.8
[M+HCOO]- 273.135701 168.5
[M+CH3COO]- 287.151351 162.6
[M+Na-2H]- 249.112166 156.6
[M]+ 228.13695142 146.0
[M]- 228.13804858 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.