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]+ 235.191726 158.6
[M+Na]+ 257.173668 160.8
[M-H]- 233.177174 158.3
[M+NH4]+ 252.218273 170.1
[M+K]+ 273.147608 155.5
[M+H-H2O]+ 217.181710 147.5
[M+HCOO]- 279.182651 168.4
[M+CH3COO]- 293.198301 165.9
[M+Na-2H]- 255.159116 158.6
[M]+ 234.18390142 145.7
[M]- 234.18499858 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.