CID 130791563

5-hydroxy-2,3,3a,4,5,7a-hexahydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1C(C=CC2C1C(=O)NC2=O)O
InChI
InChI=1S/C8H9NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-2,4-6,10H,3H2,(H,9,11,12)
InChIKey
GNUDNAYOODXBQP-UHFFFAOYSA-N
Compound name
5-hydroxy-3a,4,5,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.7
[M+Na]+ 190.04746 143.5
[M+NH4]+ 185.09206 141.1
[M+K]+ 206.02140 140.8
[M-H]- 166.05096 133.0
[M+Na-2H]- 188.03291 135.6
[M]+ 167.05769 134.4
[M]- 167.05879 134.4
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.