CID 59331

102395-67-5

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CN1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

GXGDVGOXIUXQPR-UHFFFAOYSA-N

Compound name

benzhydryl 1-methylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.17288 Da
Monoisotopic Mass: 3.8
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	175.0
[M+Na]+	332.162098	177.6
[M-H]-	308.165604	181.7
[M+NH4]+	327.206703	187.0
[M+K]+	348.136038	173.6
[M+H-H2O]+	292.170140	164.7
[M+HCOO]-	354.171081	191.5
[M+CH3COO]-	368.186731	205.0
[M+Na-2H]-	330.147546	176.2
[M]+	309.17233142	170.7
[M]-	309.17342858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.