CID 121545

Piperidine, 4-methyl-1-(1-phenylcyclohexyl)-, hydrochloride

Structural Information

Molecular Formula
C18H27N
SMILES
CC1CCN(CC1)C2(CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H27N/c1-16-10-14-19(15-11-16)18(12-6-3-7-13-18)17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
InChIKey
AJUVHIRWTCUZLT-UHFFFAOYSA-N
Compound name
4-methyl-1-(1-phenylcyclohexyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

257.21436 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 165.6
[M+Na]+ 280.20358 167.5
[M-H]- 256.20708 171.7
[M+NH4]+ 275.24818 181.9
[M+K]+ 296.17752 163.3
[M+H-H2O]+ 240.21162 155.8
[M+HCOO]- 302.21256 180.0
[M+CH3COO]- 316.22821 174.6
[M+Na-2H]- 278.18903 167.7
[M]+ 257.21381 155.7
[M]- 257.21491 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe