CID 17039510

1172749-25-5

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

C1CNCCC1CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H21NO/c1-2-4-17(5-3-1)20-18-8-6-15(7-9-18)14-16-10-12-19-13-11-16/h1-9,16,19H,10-14H2

InChIKey

DJKNMWGWPJMNMM-UHFFFAOYSA-N

Compound name

4-[(4-phenoxyphenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 267.16232 Da
Monoisotopic Mass: 4.0
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]+	268.16960	166.1
[M+Na]+	290.15154	180.7
[M+NH4]+	285.19614	175.4
[M+K]+	306.12548	171.2
[M-H]-	266.15504	172.6
[M+Na-2H]-	288.13699	176.5
[M]+	267.16177	170.1
[M]-	267.16287	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe