CID 154699639

Ns00117390

Structural Information

Molecular Formula
C13H10N2O5
SMILES
C1[C@@H](C(=O)NC(=O)C1O)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H10N2O5/c16-9-5-8(10(17)14-11(9)18)15-12(19)6-3-1-2-4-7(6)13(15)20/h1-4,8-9,16H,5H2,(H,14,17,18)/t8-,9?/m0/s1
InChIKey
HHTOWVWIVBSOKC-IENPIDJESA-N
Compound name
2-[(3S)-5-hydroxy-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

274.05896 Da
Monoisotopic Mass

-0.2
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

No patent data available for this compound.