CID 89367

20707-40-8

Structural Information

Molecular Formula
C15H15NO4
SMILES
COC1=CC=CC=C1N2C(=O)C3C4CCC(C3C2=O)O4
InChI
InChI=1S/C15H15NO4/c1-19-9-5-3-2-4-8(9)16-14(17)12-10-6-7-11(20-10)13(12)15(16)18/h2-5,10-13H,6-7H2,1H3
InChIKey
JTGITTDWIRWXDN-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

273.1001 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 159.7
[M+Na]+ 296.08932 169.1
[M-H]- 272.09282 167.1
[M+NH4]+ 291.13392 181.5
[M+K]+ 312.06326 167.0
[M+H-H2O]+ 256.09736 155.8
[M+HCOO]- 318.09830 178.5
[M+CH3COO]- 332.11395 172.8
[M+Na-2H]- 294.07477 159.4
[M]+ 273.09955 162.9
[M]- 273.10065 162.9
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

patents stripe