CID 24265027

3-amino-2-[(4-fluorophenyl)methyl]propan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

C1=CC(=CC=C1CC(CN)CO)F

InChI

InChI=1S/C10H14FNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5-7,12H2

InChIKey

RXQAPJZAIOPHSX-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3-(4-fluorophenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10594 Da
Monoisotopic Mass: 0.9
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	139.6
[M+Na]+	206.095158	146.0
[M-H]-	182.098664	140.0
[M+NH4]+	201.139763	158.4
[M+K]+	222.069098	143.1
[M+H-H2O]+	166.103200	132.9
[M+HCOO]-	228.104141	160.9
[M+CH3COO]-	242.119791	182.6
[M+Na-2H]-	204.080606	143.4
[M]+	183.10539142	136.3
[M]-	183.10648858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.