CID 91585

26581-81-7

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C13H12N2O3/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18/h1-4,10H,5-7H2,(H,14,16,17)
InChIKey
WENKGSGGXGQHSH-UHFFFAOYSA-N
Compound name
3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

1543
Patents

244.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 154.9
[M+Na]+ 267.07402 166.5
[M+NH4]+ 262.11862 161.9
[M+K]+ 283.04796 162.5
[M-H]- 243.07752 156.3
[M+Na-2H]- 265.05947 158.6
[M]+ 244.08425 156.6
[M]- 244.08535 156.6
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