CID 3020570

2-cyclohexyl-1-methylpiperidine

Structural Information

Molecular Formula
C12H23N
SMILES
CN1CCCCC1C2CCCCC2
InChI
InChI=1S/C12H23N/c1-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3
InChIKey
NLDMHZIITZOHPA-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

181.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 145.5
[M+Na]+ 204.172258 147.6
[M-H]- 180.175764 148.8
[M+NH4]+ 199.216863 163.5
[M+K]+ 220.146198 145.5
[M+H-H2O]+ 164.180300 137.7
[M+HCOO]- 226.181241 160.5
[M+CH3COO]- 240.196891 182.0
[M+Na-2H]- 202.157706 147.7
[M]+ 181.18249142 136.0
[M]- 181.18358858 136.0
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

patents stripe