CID 21555445

Tetrahydrophthalimide epoxide

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1C2C(CC3C1O3)C(=O)NC2=O
InChI
InChI=1S/C8H9NO3/c10-7-3-1-5-6(12-5)2-4(3)8(11)9-7/h3-6H,1-2H2,(H,9,10,11)
InChIKey
ZNMABOBICKRSNB-UHFFFAOYSA-N
Compound name
1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

23
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 134.9
[M+Na]+ 190.04746 146.7
[M+NH4]+ 185.09206 143.8
[M+K]+ 206.02140 145.1
[M-H]- 166.05096 143.1
[M+Na-2H]- 188.03291 138.4
[M]+ 167.05769 139.8
[M]- 167.05879 139.8
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

patents stripe