CID 99499

3,6-dihydroxyphthalimide

Structural Information

Molecular Formula
C8H5NO4
SMILES
C1=CC(=C2C(=C1O)C(=O)NC2=O)O
InChI
InChI=1S/C8H5NO4/c10-3-1-2-4(11)6-5(3)7(12)9-8(6)13/h1-2,10-11H,(H,9,12,13)
InChIKey
RTVQVYVJANLNSR-UHFFFAOYSA-N
Compound name
4,7-dihydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

179.02185 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.029126 132.1
[M+Na]+ 202.011068 143.0
[M-H]- 178.014574 132.6
[M+NH4]+ 197.055673 152.2
[M+K]+ 217.985008 139.1
[M+H-H2O]+ 162.019110 127.6
[M+HCOO]- 224.020051 151.5
[M+CH3COO]- 238.035701 172.6
[M+Na-2H]- 199.996516 136.6
[M]+ 179.02130142 130.7
[M]- 179.02239858 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe