CID 57431540

6-benzylpiperidine-2,4-dione

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1C(NC(=O)CC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H13NO2/c14-11-7-10(13-12(15)8-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)
InChIKey
YLBLDOIOPLQRKF-UHFFFAOYSA-N
Compound name
6-benzylpiperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

203.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.101916 144.2
[M+Na]+ 226.083858 150.5
[M-H]- 202.087364 147.7
[M+NH4]+ 221.128463 160.9
[M+K]+ 242.057798 146.6
[M+H-H2O]+ 186.091900 136.7
[M+HCOO]- 248.092841 162.9
[M+CH3COO]- 262.108491 181.8
[M+Na-2H]- 224.069306 148.5
[M]+ 203.09409142 139.1
[M]- 203.09518858 139.1
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

patents stripe