CID 61336802

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

Structural Information

Molecular Formula
C13H22N4
SMILES
C1CCC(CC1)C2=NC(=NN2)C3CCCNC3
InChI
InChI=1S/C13H22N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h10-11,14H,1-9H2,(H,15,16,17)
InChIKey
KYUHNIBEFFCDOZ-UHFFFAOYSA-N
Compound name
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.18445 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19173 158.6
[M+Na]+ 257.17367 160.8
[M-H]- 233.17717 158.3
[M+NH4]+ 252.21827 170.1
[M+K]+ 273.14761 155.5
[M+H-H2O]+ 217.18171 147.5
[M+HCOO]- 279.18265 168.4
[M+CH3COO]- 293.19830 165.9
[M+Na-2H]- 255.15912 158.6
[M]+ 234.18390 145.7
[M]- 234.18500 145.7
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.