CID 11778087

5054-59-1

Structural Information

Molecular Formula
C13H10N2O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
InChIKey
XMPJICVFSDYOEG-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

739
Patents

274.05896 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06624 160.4
[M+Na]+ 297.04818 171.1
[M+NH4]+ 292.09278 165.5
[M+K]+ 313.02212 169.0
[M-H]- 273.05168 160.1
[M+Na-2H]- 295.03363 162.0
[M]+ 274.05841 161.3
[M]- 274.05951 161.3
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