CID 209524

3-piperidinol, 2-(diphenylmethyl)-, acetate (ester), hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CC(=O)OC1CCCNC1C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

BSPGKOYLLQRMCH-UHFFFAOYSA-N

Compound name

(2-benzhydrylpiperidin-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 309.17288 Da
Monoisotopic Mass: 3.7
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	175.1
[M+Na]+	332.162098	177.2
[M-H]-	308.165604	180.4
[M+NH4]+	327.206703	186.3
[M+K]+	348.136038	172.4
[M+H-H2O]+	292.170140	165.2
[M+HCOO]-	354.171081	190.1
[M+CH3COO]-	368.186731	202.6
[M+Na-2H]-	330.147546	175.8
[M]+	309.17233142	169.0
[M]-	309.17342858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe