CID 4582402

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

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

C1=CC(=CC=C1CNCCCO)F

InChI

InChI=1S/C10H14FNO/c11-10-4-2-9(3-5-10)8-12-6-1-7-13/h2-5,12-13H,1,6-8H2

InChIKey

WUANPVZFFZNHAA-UHFFFAOYSA-N

Compound name

3-[(4-fluorophenyl)methylamino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 183.10594 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]+	184.113216	138.4
[M+Na]+	206.095158	145.0
[M-H]-	182.098664	139.1
[M+NH4]+	201.139763	157.4
[M+K]+	222.069098	141.9
[M+H-H2O]+	166.103200	131.5
[M+HCOO]-	228.104141	161.3
[M+CH3COO]-	242.119791	182.4
[M+Na-2H]-	204.080606	144.5
[M]+	183.10539142	136.6
[M]-	183.10648858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe