CID 154699796

Ns00117529

Structural Information

Molecular Formula
C13H10N2O5
SMILES
C1CC(=O)NC(=O)[C@H]1N2C(=O)C3=CC4C(O4)C=C3C2=O
InChI
InChI=1S/C13H10N2O5/c16-10-2-1-7(11(17)14-10)15-12(18)5-3-8-9(20-8)4-6(5)13(15)19/h3-4,7-9H,1-2H2,(H,14,16,17)/t7-,8?,9?/m0/s1
InChIKey
MNALUCRLHVMELD-UEJVZZJDSA-N
Compound name
4-[(3S)-2,6-dioxopiperidin-3-yl]-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

274.05896 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.066236 165.9
[M+Na]+ 297.048178 177.7
[M-H]- 273.051684 171.8
[M+NH4]+ 292.092783 176.6
[M+K]+ 313.022118 172.2
[M+H-H2O]+ 257.056220 159.2
[M+HCOO]- 319.057161 179.6
[M+CH3COO]- 333.072811 176.7
[M+Na-2H]- 295.033626 167.1
[M]+ 274.05841142 167.5
[M]- 274.05950858 167.5
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

No patent data available for this compound.