CID 71437624

Stipitalide

Structural Information

Molecular Formula
C9H6O5
SMILES
C1C2=CC(=O)C(=CC(=C2C(=O)O1)O)O
InChI
InChI=1S/C9H6O5/c10-5-1-4-3-14-9(13)8(4)7(12)2-6(5)11/h1-2,12H,3H2,(H,10,11)
InChIKey
FZWZZYUAWYMFBS-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-3H-cyclohepta[c]furan-1,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

14
Patents

194.02153 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02881 135.5
[M+Na]+ 217.01075 144.8
[M+NH4]+ 212.05535 141.6
[M+K]+ 232.98469 144.7
[M-H]- 193.01425 136.1
[M+Na-2H]- 214.99620 138.0
[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