CID 9586

349-26-8

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

CCNCC(C1=CC(=CC=C1)F)O

InChI

InChI=1S/C10H14FNO/c1-2-12-7-10(13)8-4-3-5-9(11)6-8/h3-6,10,12-13H,2,7H2,1H3

InChIKey

HVBKUCGAIWYJSA-UHFFFAOYSA-N

Compound name

2-(ethylamino)-1-(3-fluorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 183.10594 Da
Monoisotopic Mass: 0.5
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]+	184.11322	139.1
[M+Na]+	206.09516	145.5
[M-H]-	182.09866	140.0
[M+NH4]+	201.13976	158.1
[M+K]+	222.06910	142.9
[M+H-H2O]+	166.10320	132.3
[M+HCOO]-	228.10414	161.0
[M+CH3COO]-	242.11979	183.2
[M+Na-2H]-	204.08061	144.0
[M]+	183.10539	136.7
[M]-	183.10649	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe