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 158.2
[M+Na]+ 297.04818 167.6
[M-H]- 273.05168 161.2
[M+NH4]+ 292.09278 173.3
[M+K]+ 313.02212 162.8
[M+H-H2O]+ 257.05622 151.3
[M+HCOO]- 319.05716 173.6
[M+CH3COO]- 333.07281 193.7
[M+Na-2H]- 295.03363 158.5
[M]+ 274.05841 155.0
[M]- 274.05951 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.