CID 303507

73806-13-0

Structural Information

Molecular Formula
C11H13NO5
SMILES
CC(=O)OCN1C(=O)C2C3CCC(C2C1=O)O3
InChI
InChI=1S/C11H13NO5/c1-5(13)16-4-12-10(14)8-6-2-3-7(17-6)9(8)11(12)15/h6-9H,2-4H2,1H3
InChIKey
OLJIIVYRMGVCHW-UHFFFAOYSA-N
Compound name
(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07938 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.086656 151.3
[M+Na]+ 262.068598 160.0
[M-H]- 238.072104 155.0
[M+NH4]+ 257.113203 174.3
[M+K]+ 278.042538 159.7
[M+H-H2O]+ 222.076640 148.6
[M+HCOO]- 284.077581 169.2
[M+CH3COO]- 298.093231 191.7
[M+Na-2H]- 260.054046 151.4
[M]+ 239.07883142 155.0
[M]- 239.07992858 155.0
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.