CID 22309125

914299-44-8

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CC(CNC1)CCOC2=CC=CC=C2

InChI

InChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2

InChIKey

CRLFSQXWWCULSO-UHFFFAOYSA-N

Compound name

3-(2-phenoxyethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 205.14667 Da
Monoisotopic Mass: 2.6
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]+	206.153946	147.9
[M+Na]+	228.135888	151.4
[M-H]-	204.139394	150.3
[M+NH4]+	223.180493	164.1
[M+K]+	244.109828	147.8
[M+H-H2O]+	188.143930	139.8
[M+HCOO]-	250.144871	165.7
[M+CH3COO]-	264.160521	182.1
[M+Na-2H]-	226.121336	153.1
[M]+	205.14612142	142.4
[M]-	205.14721858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe