CID 413371

[2-(3-bromophenoxy)ethyl]dimethylamine

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

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

InChI

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

InChIKey

ITRIRBFNZOUJEP-UHFFFAOYSA-N

Compound name

2-(3-bromophenoxy)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
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]+	244.033156	146.2
[M+Na]+	266.015098	156.4
[M-H]-	242.018604	153.5
[M+NH4]+	261.059703	167.7
[M+K]+	281.989038	146.7
[M+H-H2O]+	226.023140	145.3
[M+HCOO]-	288.024081	169.4
[M+CH3COO]-	302.039731	195.5
[M+Na-2H]-	264.000546	153.5
[M]+	243.02533142	167.0
[M]-	243.02642858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe