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 179.0
[M+Na]+ 338.20904 178.4
[M-H]- 314.21254 184.4
[M+NH4]+ 333.25364 190.4
[M+K]+ 354.18298 175.1
[M+H-H2O]+ 298.21708 168.6
[M+HCOO]- 360.21802 191.1
[M+CH3COO]- 374.23367 206.1
[M+Na-2H]- 336.19449 177.0
[M]+ 315.21927 170.3
[M]- 315.22037 170.3
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.