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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02806 156.6
[M+Na]+ 318.01000 167.2
[M-H]- 294.01350 163.1
[M+NH4]+ 313.05460 175.7
[M+K]+ 333.98394 155.0
[M+H-H2O]+ 278.01804 156.4
[M+HCOO]- 340.01898 172.9
[M+CH3COO]- 354.03463 195.2
[M+Na-2H]- 315.99545 162.0
[M]+ 295.02023 171.9
[M]- 295.02133 171.9
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.