CID 3931060

247907-28-4

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

COCCNCC1=CC=CC=C1F

InChI

InChI=1S/C10H14FNO/c1-13-7-6-12-8-9-4-2-3-5-10(9)11/h2-5,12H,6-8H2,1H3

InChIKey

NDWGOVPDNOAEBH-UHFFFAOYSA-N

Compound name

N-[(2-fluorophenyl)methyl]-2-methoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.10594 Da
Monoisotopic Mass: 1.4
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	138.0
[M+Na]+	206.095158	145.0
[M-H]-	182.098664	140.2
[M+NH4]+	201.139763	157.8
[M+K]+	222.069098	142.9
[M+H-H2O]+	166.103200	130.9
[M+HCOO]-	228.104141	162.4
[M+CH3COO]-	242.119791	185.0
[M+Na-2H]-	204.080606	144.7
[M]+	183.10539142	138.2
[M]-	183.10648858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe