CID 23273661

5-phenylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1C(=O)C(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO2/c12-8-6-9(13)11-10(8)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,11,13)
InChIKey
LSZJFPBAFFVDNJ-UHFFFAOYSA-N
Compound name
5-phenylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

175.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 135.1
[M+Na]+ 198.05254 143.3
[M-H]- 174.05604 139.4
[M+NH4]+ 193.09714 155.0
[M+K]+ 214.02648 139.8
[M+H-H2O]+ 158.06058 128.7
[M+HCOO]- 220.06152 156.8
[M+CH3COO]- 234.07717 175.2
[M+Na-2H]- 196.03799 139.0
[M]+ 175.06277 131.6
[M]- 175.06387 131.6
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