CID 2160989

N-[2-(4-bromophenoxy)ethyl]-n-methylamine

Structural Information

Molecular Formula

C₉H₁₂BrNO

SMILES

CNCCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C9H12BrNO/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3

InChIKey

KBQNXQWMKSFFKY-UHFFFAOYSA-N

Compound name

2-(4-bromophenoxy)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.01022 Da
Monoisotopic Mass: 2.2
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]+	230.01750	142.6
[M+Na]+	251.99944	145.7
[M+NH4]+	247.04404	147.8
[M+K]+	267.97338	144.8
[M-H]-	228.00294	144.0
[M+Na-2H]-	249.98489	146.8
[M]+	229.00967	142.2
[M]-	229.01077	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe