CID 43531088

4-(4-bromophenoxy)butan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

C1=CC(=CC=C1OCCCCN)Br

InChI

InChI=1S/C10H14BrNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2

InChIKey

WCTVWJMQGCYIIV-UHFFFAOYSA-N

Compound name

4-(4-bromophenoxy)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 243.02588 Da
Monoisotopic Mass: 2.5
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]+	244.033156	146.9
[M+Na]+	266.015098	156.9
[M-H]-	242.018604	152.3
[M+NH4]+	261.059703	167.5
[M+K]+	281.989038	145.5
[M+H-H2O]+	226.023140	146.1
[M+HCOO]-	288.024081	169.0
[M+CH3COO]-	302.039731	191.6
[M+Na-2H]-	264.000546	153.8
[M]+	243.02533142	165.6
[M]-	243.02642858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe