CID 16770281

1193388-09-8

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

C1=CC(=CC(=C1)Br)OCCN

InChI

InChI=1S/C8H10BrNO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5,10H2

InChIKey

CKQSFXLELCTIFC-UHFFFAOYSA-N

Compound name

2-(3-bromophenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 214.99458 Da
Monoisotopic Mass: 1.6
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]+	216.00186	137.7
[M+Na]+	237.98380	148.5
[M-H]-	213.98730	143.5
[M+NH4]+	233.02840	159.4
[M+K]+	253.95774	137.6
[M+H-H2O]+	197.99184	137.3
[M+HCOO]-	259.99278	160.4
[M+CH3COO]-	274.00843	185.9
[M+Na-2H]-	235.96925	145.7
[M]+	214.99403	155.7
[M]-	214.99513	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe