CID 48128

Brn 0194228

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

C1CCN(CC1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C18H21NO/c20-18-10-9-16(15-7-3-1-4-8-15)13-17(18)14-19-11-5-2-6-12-19/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2

InChIKey

PIMVNKNCUGLQQJ-UHFFFAOYSA-N

Compound name

4-phenyl-2-(piperidin-1-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 267.16232 Da
Monoisotopic Mass: 3.9
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]+	268.169596	163.9
[M+Na]+	290.151538	168.4
[M-H]-	266.155044	169.8
[M+NH4]+	285.196143	177.6
[M+K]+	306.125478	162.9
[M+H-H2O]+	250.159580	154.4
[M+HCOO]-	312.160521	181.3
[M+CH3COO]-	326.176171	173.8
[M+Na-2H]-	288.136986	167.4
[M]+	267.16177142	158.1
[M]-	267.16286858	158.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.