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

9
Patents

274.05896 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06624 165.9
[M+Na]+ 297.04818 177.7
[M-H]- 273.05168 171.8
[M+NH4]+ 292.09278 176.6
[M+K]+ 313.02212 172.2
[M+H-H2O]+ 257.05622 159.2
[M+HCOO]- 319.05716 179.6
[M+CH3COO]- 333.07281 176.7
[M+Na-2H]- 295.03363 167.1
[M]+ 274.05841 167.5
[M]- 274.05951 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.