CID 11470199

2287333-80-4

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CNCCC1CC2=CC(=CC=C2)O

InChI

InChI=1S/C12H17NO/c14-12-3-1-2-11(9-12)8-10-4-6-13-7-5-10/h1-3,9-10,13-14H,4-8H2

InChIKey

URJVOAQPKQPTIP-UHFFFAOYSA-N

Compound name

3-(piperidin-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.13101 Da
Monoisotopic Mass: 2.2
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]+	192.13829	144.8
[M+Na]+	214.12023	157.0
[M+NH4]+	209.16483	153.6
[M+K]+	230.09417	149.8
[M-H]-	190.12373	148.1
[M+Na-2H]-	212.10568	152.0
[M]+	191.13046	147.4
[M]-	191.13156	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.