CID 71517902

1416990-08-3

Structural Information

Molecular Formula
C13H12N2O4
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C13H12N2O4/c16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18/h1-2,5,10,16H,3-4,6H2,(H,14,17,18)
InChIKey
JJUMFQGCQAUIFH-UHFFFAOYSA-N
Compound name
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

142
Patents

260.0797 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 158.2
[M+Na]+ 283.06892 169.1
[M+NH4]+ 278.11352 164.2
[M+K]+ 299.04286 166.2
[M-H]- 259.07242 158.6
[M+Na-2H]- 281.05437 160.6
[M]+ 260.07915 159.4
[M]- 260.08025 159.4
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