CID 3049305

1-(2-phenoxyoxan-3-yl)piperidine

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

C1CCN(CC1)C2CCCOC2OC3=CC=CC=C3

InChI

InChI=1S/C16H23NO2/c1-3-8-14(9-4-1)19-16-15(10-7-13-18-16)17-11-5-2-6-12-17/h1,3-4,8-9,15-16H,2,5-7,10-13H2

InChIKey

APAMQUCUKNWYCQ-UHFFFAOYSA-N

Compound name

1-(2-phenoxyoxan-3-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.17288 Da
Monoisotopic Mass: 3.3
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]+	262.180156	162.2
[M+Na]+	284.162098	163.9
[M-H]-	260.165604	168.9
[M+NH4]+	279.206703	174.8
[M+K]+	300.136038	162.0
[M+H-H2O]+	244.170140	152.2
[M+HCOO]-	306.171081	176.7
[M+CH3COO]-	320.186731	171.5
[M+Na-2H]-	282.147546	165.4
[M]+	261.17233142	154.8
[M]-	261.17342858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.