CID 3024464

1-(3-cyclohexyl-3-phenylpropyl)piperidine hydrochloride

Structural Information

Molecular Formula
C20H31N
SMILES
C1CCC(CC1)C(CCN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H31N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2
InChIKey
XRIWYSDXWFTHGN-UHFFFAOYSA-N
Compound name
1-(3-cyclohexyl-3-phenylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.24564 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.25292 173.4
[M+Na]+ 308.23486 172.0
[M-H]- 284.23836 178.2
[M+NH4]+ 303.27946 186.0
[M+K]+ 324.20880 167.4
[M+H-H2O]+ 268.24290 162.8
[M+HCOO]- 330.24384 185.9
[M+CH3COO]- 344.25949 180.6
[M+Na-2H]- 306.22031 173.1
[M]+ 285.24509 162.9
[M]- 285.24619 162.9
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