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]+ 240.08666 151.3
[M+Na]+ 262.06860 160.0
[M-H]- 238.07210 155.0
[M+NH4]+ 257.11320 174.3
[M+K]+ 278.04254 159.7
[M+H-H2O]+ 222.07664 148.6
[M+HCOO]- 284.07758 169.2
[M+CH3COO]- 298.09323 191.7
[M+Na-2H]- 260.05405 151.4
[M]+ 239.07883 155.0
[M]- 239.07993 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.