CID 71517903

1416990-09-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

260.0797 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.086976 156.9
[M+Na]+ 283.068918 165.3
[M-H]- 259.072424 159.5
[M+NH4]+ 278.113523 172.4
[M+K]+ 299.042858 160.4
[M+H-H2O]+ 243.076960 149.7
[M+HCOO]- 305.077901 172.0
[M+CH3COO]- 319.093551 190.7
[M+Na-2H]- 281.054366 157.6
[M]+ 260.07915142 152.5
[M]- 260.08024858 152.5
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