CID 154699711

Ns00117452

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

C1CCN(C(C1)O)CC2=CC(=CC=C2)OCCCO

InChI

InChI=1S/C15H23NO3/c17-9-4-10-19-14-6-3-5-13(11-14)12-16-8-2-1-7-15(16)18/h3,5-6,11,15,17-18H,1-2,4,7-10,12H2

InChIKey

JOBXIACVHWADOM-UHFFFAOYSA-N

Compound name

1-[[3-(3-hydroxypropoxy)phenyl]methyl]piperidin-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.1678 Da
Monoisotopic Mass: 2.3
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]+	266.175076	163.4
[M+Na]+	288.157018	167.2
[M-H]-	264.160524	164.8
[M+NH4]+	283.201623	176.9
[M+K]+	304.130958	163.4
[M+H-H2O]+	248.165060	155.2
[M+HCOO]-	310.166001	179.3
[M+CH3COO]-	324.181651	192.0
[M+Na-2H]-	286.142466	165.6
[M]+	265.16725142	160.3
[M]-	265.16834858	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.