CID 16749

2260-45-9

Structural Information

Molecular Formula

C₂₁H₃₁NO₃

SMILES

CCOC(=O)C1(CCN(CC1)CCCC2CCCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H31NO3/c1-2-24-20(23)21(18-8-4-3-5-9-18)12-15-22(16-13-21)14-6-10-19-11-7-17-25-19/h3-5,8-9,19H,2,6-7,10-17H2,1H3

InChIKey

QHDJAMFGKRJOLY-UHFFFAOYSA-N

Compound name

ethyl 1-[3-(oxolan-2-yl)propyl]-4-phenylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.2304 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]+	346.237676	186.8
[M+Na]+	368.219618	188.3
[M-H]-	344.223124	193.6
[M+NH4]+	363.264223	200.0
[M+K]+	384.193558	186.0
[M+H-H2O]+	328.227660	177.5
[M+HCOO]-	390.228601	201.3
[M+CH3COO]-	404.244251	209.2
[M+Na-2H]-	366.205066	185.7
[M]+	345.22985142	183.9
[M]-	345.23094858	183.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.