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]+ 195.02881 132.7
[M+Na]+ 217.01075 143.3
[M-H]- 193.01425 139.7
[M+NH4]+ 212.05535 153.5
[M+K]+ 232.98469 144.4
[M+H-H2O]+ 177.01879 130.3
[M+HCOO]- 239.01973 152.5
[M+CH3COO]- 253.03538 148.0
[M+Na-2H]- 214.99620 140.3
[M]+ 194.02098 136.8
[M]- 194.02208 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