CID 21928247

191732-75-9

Structural Information

Molecular Formula
C13H13N3O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C(=CC=C3)N
InChI
InChI=1S/C13H13N3O3/c14-8-3-1-2-7-6-16(13(19)11(7)8)9-4-5-10(17)15-12(9)18/h1-3,9H,4-6,14H2,(H,15,17,18)
InChIKey
XKAYAFBLGLCWSY-UHFFFAOYSA-N
Compound name
3-(4-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

599
Patents

259.0957 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 158.2
[M+Na]+ 282.08492 168.5
[M+NH4]+ 277.12952 164.5
[M+K]+ 298.05886 165.5
[M-H]- 258.08842 159.7
[M+Na-2H]- 280.07037 161.0
[M]+ 259.09515 159.6
[M]- 259.09625 159.6
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