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 133.7
[M+Na]+ 190.04746 142.8
[M-H]- 166.05096 136.0
[M+NH4]+ 185.09206 158.9
[M+K]+ 206.02140 141.4
[M+H-H2O]+ 150.05550 130.9
[M+HCOO]- 212.05644 151.6
[M+CH3COO]- 226.07209 147.4
[M+Na-2H]- 188.03291 136.0
[M]+ 167.05769 132.7
[M]- 167.05879 132.7
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