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

0
Patents

281.00513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01241 154.1
[M+Na]+ 303.99435 164.1
[M-H]- 279.99785 160.3
[M+NH4]+ 299.03895 171.7
[M+K]+ 319.96829 151.8
[M+H-H2O]+ 264.00239 153.2
[M+HCOO]- 326.00333 170.5
[M+CH3COO]- 340.01898 192.8
[M+Na-2H]- 301.97980 158.7
[M]+ 281.00458 168.4
[M]- 281.00568 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.