CID 3076566

2-(2-(n,n-dimethylamino)ethoxy)-1-(3-fluorophenyl)ethanol hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₈FNO₂

SMILES

CN(C)CCOCC(C1=CC(=CC=C1)F)O

InChI

InChI=1S/C12H18FNO2/c1-14(2)6-7-16-9-12(15)10-4-3-5-11(13)8-10/h3-5,8,12,15H,6-7,9H2,1-2H3

InChIKey

FFDMDJNGOUIUQP-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethoxy]-1-(3-fluorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 227.13216 Da
Monoisotopic Mass: 1.1
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]+	228.139436	151.6
[M+Na]+	250.121378	157.2
[M-H]-	226.124884	153.6
[M+NH4]+	245.165983	169.4
[M+K]+	266.095318	156.1
[M+H-H2O]+	210.129420	144.0
[M+HCOO]-	272.130361	173.6
[M+CH3COO]-	286.146011	194.8
[M+Na-2H]-	248.106826	154.6
[M]+	227.13161142	152.7
[M]-	227.13270858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe