CID 3043688

56037-73-1

Structural Information

Molecular Formula

C₁₃H₁₄BrNO₂

SMILES

CCC1(CC(C(=O)NC1=O)Br)C2=CC=CC=C2

InChI

InChI=1S/C13H14BrNO2/c1-2-13(9-6-4-3-5-7-9)8-10(14)11(16)15-12(13)17/h3-7,10H,2,8H2,1H3,(H,15,16,17)

InChIKey

DLLDWLFSFRVNHQ-UHFFFAOYSA-N

Compound name

5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.02078 Da
Monoisotopic Mass: 2.8
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]+	296.028056	156.6
[M+Na]+	318.009998	167.2
[M-H]-	294.013504	163.1
[M+NH4]+	313.054603	175.7
[M+K]+	333.983938	155.0
[M+H-H2O]+	278.018040	156.4
[M+HCOO]-	340.018981	172.9
[M+CH3COO]-	354.034631	195.2
[M+Na-2H]-	315.995446	162.0
[M]+	295.02023142	171.9
[M]-	295.02132858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.