CID 59330

Diphenylmethyl 4-hydroxy-1-methylisonipecotate

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

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

InChI

InChI=1S/C20H23NO3/c1-21-14-12-20(23,13-15-21)19(22)24-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3

InChIKey

GFXQTCCWCSVYAN-UHFFFAOYSA-N

Compound name

benzhydryl 4-hydroxy-1-methylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 3.0
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]+	326.175076	179.2
[M+Na]+	348.157018	182.4
[M-H]-	324.160524	185.0
[M+NH4]+	343.201623	191.9
[M+K]+	364.130958	178.6
[M+H-H2O]+	308.165060	169.5
[M+HCOO]-	370.166001	194.5
[M+CH3COO]-	384.181651	204.2
[M+Na-2H]-	346.142466	181.1
[M]+	325.16725142	174.9
[M]-	325.16834858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.