CID 89371

2-(2-hydroxypropyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione

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 150.8
[M+Na]+ 248.08933 158.9
[M-H]- 224.09283 153.1
[M+NH4]+ 243.13393 173.8
[M+K]+ 264.06327 157.8
[M+H-H2O]+ 208.09737 148.2
[M+HCOO]- 270.09831 166.8
[M+CH3COO]- 284.11396 188.6
[M+Na-2H]- 246.07478 150.1
[M]+ 225.09956 152.1
[M]- 225.10066 152.1
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