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
6
Annotation Hits

0
References

26
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 136.4
[M+Na]+ 190.04746 147.4
[M-H]- 166.05096 140.5
[M+NH4]+ 185.09206 152.8
[M+K]+ 206.02140 143.9
[M+H-H2O]+ 150.05550 131.2
[M+HCOO]- 212.05644 152.6
[M+CH3COO]- 226.07209 149.2
[M+Na-2H]- 188.03291 141.6
[M]+ 167.05769 137.0
[M]- 167.05879 137.0
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

No patent data available for this compound.