CID 3865138

3-(4-chlorophenoxy)piperidine

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1CC(CNC1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H14ClNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h3-6,11,13H,1-2,7-8H2

InChIKey

OXELOOCWZRBKSV-UHFFFAOYSA-N

Compound name

3-(4-chlorophenoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 211.07639 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]+	212.08367	145.1
[M+Na]+	234.06561	158.9
[M+NH4]+	229.11021	154.6
[M+K]+	250.03955	150.8
[M-H]-	210.06911	149.0
[M+Na-2H]-	232.05106	153.3
[M]+	211.07584	148.4
[M]-	211.07694	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe