CID 168843

Exo-7-oxabicyclo(2.2.1)heptane-2,3-dicarboximide

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)NC3=O
InChI
InChI=1S/C8H9NO3/c10-7-5-3-1-2-4(12-3)6(5)8(11)9-7/h3-6H,1-2H2,(H,9,10,11)/t3-,4+,5-,6+
InChIKey
VKWSKNKAHKHDRI-FBXFSONDSA-N
Compound name
(3aS,4R,7S,7aR)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

167.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.4
[M+Na]+ 190.04746 141.0
[M+NH4]+ 185.09206 141.7
[M+K]+ 206.02140 142.8
[M-H]- 166.05096 132.9
[M+Na-2H]- 188.03291 131.3
[M]+ 167.05769 133.8
[M]- 167.05879 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe