CID 3056561

73806-14-1

Structural Information

Molecular Formula
C12H15NO6
SMILES
CCOC(=O)OCN1C(=O)C2C3CCC(C2C1=O)O3
InChI
InChI=1S/C12H15NO6/c1-2-17-12(16)18-5-13-10(14)8-6-3-4-7(19-6)9(8)11(13)15/h6-9H,2-5H2,1H3
InChIKey
ZHCSXNWPTLNQGX-UHFFFAOYSA-N
Compound name
(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08994 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09722 158.0
[M+Na]+ 292.07916 166.0
[M-H]- 268.08266 161.5
[M+NH4]+ 287.12376 179.7
[M+K]+ 308.05310 166.2
[M+H-H2O]+ 252.08720 155.2
[M+HCOO]- 314.08814 175.7
[M+CH3COO]- 328.10379 196.2
[M+Na-2H]- 290.06461 157.9
[M]+ 269.08939 163.4
[M]- 269.09049 163.4
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.