CID 71748883

59303-37-6

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)CO

InChI

InChI=1S/C16H23NO2/c1-13(11-17-9-3-2-4-10-17)16(19)15-7-5-14(12-18)6-8-15/h5-8,13,18H,2-4,9-12H2,1H3

InChIKey

MBFHFUBFALKDKH-UHFFFAOYSA-N

Compound name

1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 261.17288 Da
Monoisotopic Mass: 2.1
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]+	262.180156	163.7
[M+Na]+	284.162098	166.4
[M-H]-	260.165604	166.1
[M+NH4]+	279.206703	177.6
[M+K]+	300.136038	163.1
[M+H-H2O]+	244.170140	155.4
[M+HCOO]-	306.171081	178.8
[M+CH3COO]-	320.186731	195.2
[M+Na-2H]-	282.147546	164.1
[M]+	261.17233142	159.1
[M]-	261.17342858	159.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.