CID 3019456

83898-33-3

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CC1CNCCC1(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c1-16-14-21-13-12-20(16,18-10-6-3-7-11-18)19(22)23-15-17-8-4-2-5-9-17/h2-11,16,21H,12-15H2,1H3

InChIKey

JHAQCDVSKFELGB-UHFFFAOYSA-N

Compound name

benzyl 3-methyl-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 309.17288 Da
Monoisotopic Mass: 3.6
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]+	310.180156	176.4
[M+Na]+	332.162098	180.0
[M-H]-	308.165604	182.1
[M+NH4]+	327.206703	189.9
[M+K]+	348.136038	175.0
[M+H-H2O]+	292.170140	166.6
[M+HCOO]-	354.171081	192.5
[M+CH3COO]-	368.186731	185.3
[M+Na-2H]-	330.147546	179.2
[M]+	309.17233142	171.2
[M]-	309.17342858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe