CID 3076580

131961-44-9

Structural Information

Molecular Formula

C₁₂H₁₈FNO₂

SMILES

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

InChI

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

InChIKey

CXNQKWMWNRGTNN-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	228.13944	151.6
[M+Na]+	250.12138	157.2
[M-H]-	226.12488	153.6
[M+NH4]+	245.16598	169.4
[M+K]+	266.09532	156.1
[M+H-H2O]+	210.12942	144.0
[M+HCOO]-	272.13036	173.6
[M+CH3COO]-	286.14601	194.8
[M+Na-2H]-	248.10683	154.6
[M]+	227.13161	152.7
[M]-	227.13271	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe