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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.227096	179.0
[M+Na]+	338.209038	178.4
[M-H]-	314.212544	184.4
[M+NH4]+	333.253643	190.4
[M+K]+	354.182978	175.1
[M+H-H2O]+	298.217080	168.6
[M+HCOO]-	360.218021	191.1
[M+CH3COO]-	374.233671	206.1
[M+Na-2H]-	336.194486	177.0
[M]+	315.21927142	170.3
[M]-	315.22036858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.