CID 213409

Phenetole, beta-piperidino-o-(o-tolyloxy)-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CC1=CC=CC=C1OC2=CC=CC=C2OCCN3CCCCC3

InChI

InChI=1S/C20H25NO2/c1-17-9-3-4-10-18(17)23-20-12-6-5-11-19(20)22-16-15-21-13-7-2-8-14-21/h3-6,9-12H,2,7-8,13-16H2,1H3

InChIKey

DUMHTBYJRRRELU-UHFFFAOYSA-N

Compound name

1-[2-[2-(2-methylphenoxy)phenoxy]ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.18854 Da
Monoisotopic Mass: 4.7
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]+	312.195816	176.1
[M+Na]+	334.177758	179.9
[M-H]-	310.181264	182.9
[M+NH4]+	329.222363	188.4
[M+K]+	350.151698	175.4
[M+H-H2O]+	294.185800	165.5
[M+HCOO]-	356.186741	194.4
[M+CH3COO]-	370.202391	205.8
[M+Na-2H]-	332.163206	178.8
[M]+	311.18799142	174.1
[M]-	311.18908858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.