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

9
Patents

175.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 135.1
[M+Na]+ 198.052538 143.3
[M-H]- 174.056044 139.4
[M+NH4]+ 193.097143 155.0
[M+K]+ 214.026478 139.8
[M+H-H2O]+ 158.060580 128.7
[M+HCOO]- 220.061521 156.8
[M+CH3COO]- 234.077171 175.2
[M+Na-2H]- 196.037986 139.0
[M]+ 175.06277142 131.6
[M]- 175.06386858 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