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
2
Annotation Hits

2
References

238
Patents

274.05896 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.066236 158.2
[M+Na]+ 297.048178 167.6
[M-H]- 273.051684 161.2
[M+NH4]+ 292.092783 173.3
[M+K]+ 313.022118 162.8
[M+H-H2O]+ 257.056220 151.3
[M+HCOO]- 319.057161 173.6
[M+CH3COO]- 333.072811 193.7
[M+Na-2H]- 295.033626 158.5
[M]+ 274.05841142 155.0
[M]- 274.05950858 155.0
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.