CID 3730581

3-phenoxypiperidine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CC(CNC1)OC2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2

InChIKey

QDPNIJKUTWDGMV-UHFFFAOYSA-N

Compound name

3-phenoxypiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 177.11537 Da
Monoisotopic Mass: 2.0
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]+	178.122646	138.9
[M+Na]+	200.104588	143.2
[M-H]-	176.108094	141.7
[M+NH4]+	195.149193	156.3
[M+K]+	216.078528	140.2
[M+H-H2O]+	160.112630	131.3
[M+HCOO]-	222.113571	157.4
[M+CH3COO]-	236.129221	176.1
[M+Na-2H]-	198.090036	145.2
[M]+	177.11482142	132.7
[M]-	177.11591858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe