CID 64160105

3-[(3-bromophenyl)methyl]piperidine-2,6-dione

Structural Information

Molecular Formula

C₁₂H₁₂BrNO₂

SMILES

C1CC(=O)NC(=O)C1CC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H12BrNO2/c13-10-3-1-2-8(7-10)6-9-4-5-11(15)14-12(9)16/h1-3,7,9H,4-6H2,(H,14,15,16)

InChIKey

AHHPFSPCHMJFMR-UHFFFAOYSA-N

Compound name

3-[(3-bromophenyl)methyl]piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 281.00513 Da
Monoisotopic Mass: 2.0
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]+	282.012406	154.1
[M+Na]+	303.994348	164.1
[M-H]-	279.997854	160.3
[M+NH4]+	299.038953	171.7
[M+K]+	319.968288	151.8
[M+H-H2O]+	264.002390	153.2
[M+HCOO]-	326.003331	170.5
[M+CH3COO]-	340.018981	192.8
[M+Na-2H]-	301.979796	158.7
[M]+	281.00458142	168.4
[M]-	281.00567858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe