CID 44714

63867-82-3

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

COC1=CC2=C(C=CC=C2C(CN3CCCCC3)O)C=C1

InChI

InChI=1S/C18H23NO2/c1-21-15-9-8-14-6-5-7-16(17(14)12-15)18(20)13-19-10-3-2-4-11-19/h5-9,12,18,20H,2-4,10-11,13H2,1H3

InChIKey

PDNXIBFHRKCBBM-UHFFFAOYSA-N

Compound name

1-(7-methoxynaphthalen-1-yl)-2-piperidin-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.17288 Da
Monoisotopic Mass: 3.2
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]+	286.180156	168.3
[M+Na]+	308.162098	172.3
[M-H]-	284.165604	171.8
[M+NH4]+	303.206703	182.4
[M+K]+	324.136038	167.9
[M+H-H2O]+	268.170140	159.4
[M+HCOO]-	330.171081	183.2
[M+CH3COO]-	344.186731	200.0
[M+Na-2H]-	306.147546	171.2
[M]+	285.17233142	164.7
[M]-	285.17342858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe