CID 425080

Alpha-phenyl-2-piperidinocyclohexanemethanol acetate hydrochloride

Structural Information

Molecular Formula
C20H29NO2
SMILES
CC(=O)OC(C1CCCCC1N2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H29NO2/c1-16(22)23-20(17-10-4-2-5-11-17)18-12-6-7-13-19(18)21-14-8-3-9-15-21/h2,4-5,10-11,18-20H,3,6-9,12-15H2,1H3
InChIKey
NZMZYGOERXRTEX-UHFFFAOYSA-N
Compound name
[phenyl-(2-piperidin-1-ylcyclohexyl)methyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 179.9
[M+Na]+ 338.20904 190.6
[M+NH4]+ 333.25364 187.9
[M+K]+ 354.18298 183.2
[M-H]- 314.21254 185.1
[M+Na-2H]- 336.19449 186.4
[M]+ 315.21927 182.7
[M]- 315.22037 182.7
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.