CID 22764836

1-benzoylpiperidine-2,6-dione

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1CC(=O)N(C(=O)C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO3/c14-10-7-4-8-11(15)13(10)12(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
OVXCMDCXMSNGHW-UHFFFAOYSA-N
Compound name
1-benzoylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.2
[M+Na]+ 240.06312 152.0
[M-H]- 216.06662 150.3
[M+NH4]+ 235.10772 162.0
[M+K]+ 256.03706 149.5
[M+H-H2O]+ 200.07116 137.6
[M+HCOO]- 262.07210 164.9
[M+CH3COO]- 276.08775 185.8
[M+Na-2H]- 238.04857 148.9
[M]+ 217.07335 142.1
[M]- 217.07445 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe