CID 89371

20711-66-4

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(CN1C(=O)C2C3CCC(C2C1=O)O3)O
InChI
InChI=1S/C11H15NO4/c1-5(13)4-12-10(14)8-6-2-3-7(16-6)9(8)11(12)15/h5-9,13H,2-4H2,1H3
InChIKey
GYESKCXGLKLYHY-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropyl)-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

225.10011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 149.1
[M+Na]+ 248.08933 155.6
[M+NH4]+ 243.13393 156.2
[M+K]+ 264.06327 158.3
[M-H]- 224.09283 147.9
[M+Na-2H]- 246.07478 145.3
[M]+ 225.09956 149.1
[M]- 225.10066 149.1
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