CID 22388589

1-[(1-aminopropan-2-yl)oxy]-4-bromobenzene

Structural Information

Molecular Formula

C₉H₁₂BrNO

SMILES

CC(CN)OC1=CC=C(C=C1)Br

InChI

InChI=1S/C9H12BrNO/c1-7(6-11)12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3

InChIKey

ZGLQWIALATZXIJ-UHFFFAOYSA-N

Compound name

2-(4-bromophenoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 229.01022 Da
Monoisotopic Mass: 2.1
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]+	230.01750	141.8
[M+Na]+	251.99944	144.3
[M+NH4]+	247.04404	146.8
[M+K]+	267.97338	144.4
[M-H]-	228.00294	142.9
[M+Na-2H]-	249.98489	145.3
[M]+	229.00967	141.2
[M]-	229.01077	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe