CID 21954875

1-phenylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1C(=O)CN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO2/c12-9-6-10(13)11(7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
YCWRLBFFWYMHAQ-UHFFFAOYSA-N
Compound name
1-phenylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

680
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 134.3
[M+Na]+ 198.05254 143.0
[M-H]- 174.05604 140.0
[M+NH4]+ 193.09714 154.9
[M+K]+ 214.02648 140.4
[M+H-H2O]+ 158.06058 127.6
[M+HCOO]- 220.06152 157.5
[M+CH3COO]- 234.07717 177.8
[M+Na-2H]- 196.03799 138.7
[M]+ 175.06277 132.7
[M]- 175.06387 132.7
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