CID 568890

3-phenylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1C(C(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKey
FVSWNQYFMNGPLF-UHFFFAOYSA-N
Compound name
3-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

195
Patents

175.06332 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe