CID 15088156

3-acetyl-1-phenyl-pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC(=O)C1C(=O)CN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO3/c1-8(14)11-10(15)7-13(12(11)16)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
InChIKey
QBKVVMUXEOBMLS-UHFFFAOYSA-N
Compound name
3-acetyl-1-phenylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

71
Patents

217.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.8
[M+Na]+ 240.06312 153.3
[M-H]- 216.06662 150.6
[M+NH4]+ 235.10772 163.7
[M+K]+ 256.03706 150.7
[M+H-H2O]+ 200.07116 138.0
[M+HCOO]- 262.07210 166.7
[M+CH3COO]- 276.08775 187.2
[M+Na-2H]- 238.04857 146.3
[M]+ 217.07335 144.4
[M]- 217.07445 144.4
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