CID 81329187

[1-(3-bromophenyl)ethyl](ethoxy)amine

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

CCONC(C)C1=CC(=CC=C1)Br

InChI

InChI=1S/C10H14BrNO/c1-3-13-12-8(2)9-5-4-6-10(11)7-9/h4-8,12H,3H2,1-2H3

InChIKey

NVJHHSGLLVDZSG-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)-N-ethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.02588 Da
Monoisotopic Mass: 2.8
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	147.0
[M+Na]+	266.015098	156.7
[M-H]-	242.018604	153.0
[M+NH4]+	261.059703	167.8
[M+K]+	281.989038	146.1
[M+H-H2O]+	226.023140	146.2
[M+HCOO]-	288.024081	168.7
[M+CH3COO]-	302.039731	193.0
[M+Na-2H]-	264.000546	153.7
[M]+	243.02533142	166.0
[M]-	243.02642858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.