CID 10354356

3-bromomethcathinone

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

CC(C(=O)C1=CC(=CC=C1)Br)NC

InChI

InChI=1S/C10H12BrNO/c1-7(12-2)10(13)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3

InChIKey

PXLYROINIXKFAW-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)-2-(methylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 43
Patents: 241.01022 Da
Monoisotopic Mass: 2.3
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]+	242.01750	146.0
[M+Na]+	263.99944	155.8
[M-H]-	240.00294	152.1
[M+NH4]+	259.04404	166.8
[M+K]+	279.97338	145.0
[M+H-H2O]+	224.00748	145.4
[M+HCOO]-	286.00842	167.0
[M+CH3COO]-	300.02407	193.0
[M+Na-2H]-	261.98489	151.6
[M]+	241.00967	163.8
[M]-	241.01077	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe