CID 89368

20707-41-9

Structural Information

Molecular Formula
C16H17NO4
SMILES
CCOC1=CC=CC=C1N2C(=O)C3C4CCC(C3C2=O)O4
InChI
InChI=1S/C16H17NO4/c1-2-20-10-6-4-3-5-9(10)17-15(18)13-11-7-8-12(21-11)14(13)16(17)19/h3-6,11-14H,2,7-8H2,1H3
InChIKey
QKLVXOYMOLDCNG-UHFFFAOYSA-N
Compound name
2-(2-ethoxyphenyl)-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

0
Patents

287.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 164.0
[M+Na]+ 310.10497 173.8
[M+NH4]+ 305.14957 172.1
[M+K]+ 326.07891 174.1
[M-H]- 286.10847 166.4
[M+Na-2H]- 308.09042 163.8
[M]+ 287.11520 165.8
[M]- 287.11630 165.8
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.