CID 43566116

2-amino-1-(2-fluorophenyl)butan-1-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

CCC(C(C1=CC=CC=C1F)O)N

InChI

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

InChIKey

PTVLWJBAUNCFLW-UHFFFAOYSA-N

Compound name

2-amino-1-(2-fluorophenyl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10594 Da
Monoisotopic Mass: 1.2
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	140.2
[M+Na]+	206.095158	146.3
[M-H]-	182.098664	140.6
[M+NH4]+	201.139763	158.8
[M+K]+	222.069098	143.9
[M+H-H2O]+	166.103200	133.5
[M+HCOO]-	228.104141	160.4
[M+CH3COO]-	242.119791	183.5
[M+Na-2H]-	204.080606	142.6
[M]+	183.10539142	136.1
[M]-	183.10648858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.