CID 3076634

Alpha-((2-(dimethylamino)ethoxy)methyl)-2-naphthalenemethanol hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₁NO₂

SMILES

CN(C)CCOCC(C1=CC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C16H21NO2/c1-17(2)9-10-19-12-16(18)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16,18H,9-10,12H2,1-2H3

InChIKey

ICZQVBFZZYZSGO-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethoxy]-1-naphthalen-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 259.15723 Da
Monoisotopic Mass: 2.5
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]+	260.164506	161.4
[M+Na]+	282.146448	166.4
[M-H]-	258.149954	165.2
[M+NH4]+	277.191053	178.7
[M+K]+	298.120388	164.1
[M+H-H2O]+	242.154490	154.0
[M+HCOO]-	304.155431	182.9
[M+CH3COO]-	318.171081	201.6
[M+Na-2H]-	280.131896	166.2
[M]+	259.15668142	163.7
[M]-	259.15777858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe