CID 359572

12-hydroxy-4,6,11-trioxatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8-trien-10-one

Structural Information

Molecular Formula
C9H6O5
SMILES
C1OC2=C(O1)C=C3C(=C2)C(OC3=O)O
InChI
InChI=1S/C9H6O5/c10-8-4-1-6-7(13-3-12-6)2-5(4)9(11)14-8/h1-2,8,10H,3H2
InChIKey
OMWWLAWOSZODOO-UHFFFAOYSA-N
Compound name
5-hydroxy-5H-furo[3,4-f][1,3]benzodioxol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.02153 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.028806 132.7
[M+Na]+ 217.010748 143.3
[M-H]- 193.014254 139.7
[M+NH4]+ 212.055353 153.5
[M+K]+ 232.984688 144.4
[M+H-H2O]+ 177.018790 130.3
[M+HCOO]- 239.019731 152.5
[M+CH3COO]- 253.035381 148.0
[M+Na-2H]- 214.996196 140.3
[M]+ 194.02098142 136.8
[M]- 194.02207858 136.8
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

patents stripe