CID 101647

2-fluoro-4-[2-(methylamino)propyl]phenol

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

CC(CC1=CC(=C(C=C1)O)F)NC

InChI

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

InChIKey

IZKWCZBXYUWECV-UHFFFAOYSA-N

Compound name

2-fluoro-4-[2-(methylamino)propyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10594 Da
Monoisotopic Mass: 1.9
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	138.8
[M+Na]+	206.095158	146.1
[M-H]-	182.098664	140.1
[M+NH4]+	201.139763	158.1
[M+K]+	222.069098	143.6
[M+H-H2O]+	166.103200	132.3
[M+HCOO]-	228.104141	160.7
[M+CH3COO]-	242.119791	184.4
[M+Na-2H]-	204.080606	142.9
[M]+	183.10539142	136.8
[M]-	183.10648858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.