CID 61698314

1-[(1-aminobutan-2-yl)oxy]-3-fluorobenzene

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

CCC(CN)OC1=CC(=CC=C1)F

InChI

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

InChIKey

GIAZEWHIGQCIQO-UHFFFAOYSA-N

Compound name

2-(3-fluorophenoxy)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10594 Da
Monoisotopic Mass: 2.0
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]+	184.113216	139.2
[M+Na]+	206.095158	146.0
[M-H]-	182.098664	141.0
[M+NH4]+	201.139763	158.7
[M+K]+	222.069098	144.0
[M+H-H2O]+	166.103200	132.2
[M+HCOO]-	228.104141	162.0
[M+CH3COO]-	242.119791	185.2
[M+Na-2H]-	204.080606	143.5
[M]+	183.10539142	137.8
[M]-	183.10648858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.