CID 13228

827-50-9

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CCN(CCBr)C1=CC=CC=C1

InChI

InChI=1S/C10H14BrN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

VNHIWLRYPBSACZ-UHFFFAOYSA-N

Compound name

N-(2-bromoethyl)-N-ethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 227.03096 Da
Monoisotopic Mass: 3.5
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]+	228.038236	143.9
[M+Na]+	250.020178	153.4
[M-H]-	226.023684	150.9
[M+NH4]+	245.064783	165.8
[M+K]+	265.994118	143.2
[M+H-H2O]+	210.028220	143.1
[M+HCOO]-	272.029161	166.9
[M+CH3COO]-	286.044811	192.7
[M+Na-2H]-	248.005626	151.9
[M]+	227.03041142	163.1
[M]-	227.03150858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe