CID 213877

[2-(4-bromophenoxy)ethyl]dimethylamine

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

CN(C)CCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3

InChIKey

MOVOYJFCKMYLHQ-UHFFFAOYSA-N

Compound name

2-(4-bromophenoxy)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 172
Patents: 243.02588 Da
Monoisotopic Mass: 2.6
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]+	244.03316	146.2
[M+Na]+	266.01510	156.4
[M-H]-	242.01860	153.5
[M+NH4]+	261.05970	167.7
[M+K]+	281.98904	146.7
[M+H-H2O]+	226.02314	145.3
[M+HCOO]-	288.02408	169.4
[M+CH3COO]-	302.03973	195.5
[M+Na-2H]-	264.00055	153.5
[M]+	243.02533	167.0
[M]-	243.02643	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe