CID 3020571

2-(4-methylcyclohexyl)piperidine

Structural Information

Molecular Formula
C12H23N
SMILES
CC1CCC(CC1)C2CCCCN2
InChI
InChI=1S/C12H23N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h10-13H,2-9H2,1H3
InChIKey
JBVLZTOPFKHUJA-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohexyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.18304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 146.2
[M+Na]+ 204.172258 147.9
[M-H]- 180.175764 148.0
[M+NH4]+ 199.216863 163.4
[M+K]+ 220.146198 144.8
[M+H-H2O]+ 164.180300 138.6
[M+HCOO]- 226.181241 159.6
[M+CH3COO]- 240.196891 179.3
[M+Na-2H]- 202.157706 147.9
[M]+ 181.18249142 134.8
[M]- 181.18358858 134.8
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