CID 82294040

2-(4-bromophenyl)-2-methoxypropan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

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

InChI

InChI=1S/C10H14BrNO/c1-10(7-12,13-2)8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3

InChIKey

FPOZYDORTHRYIT-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-2-methoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.02588 Da
Monoisotopic Mass: 1.5
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	148.2
[M+Na]+	266.015098	158.6
[M-H]-	242.018604	153.9
[M+NH4]+	261.059703	168.9
[M+K]+	281.989038	147.5
[M+H-H2O]+	226.023140	147.9
[M+HCOO]-	288.024081	168.7
[M+CH3COO]-	302.039731	191.9
[M+Na-2H]-	264.000546	155.6
[M]+	243.02533142	166.4
[M]-	243.02642858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.