CID 10733867

Dulciol e

Structural Information

Molecular Formula
C18H16O5
SMILES
CC1C(C2=CC(=C3C(=C2O1)C(=O)C4=C(O3)C(=CC=C4)O)O)(C)C
InChI
InChI=1S/C18H16O5/c1-8-18(2,3)10-7-12(20)17-13(16(10)22-8)14(21)9-5-4-6-11(19)15(9)23-17/h4-8,19-20H,1-3H3
InChIKey
WJPITGSTUAHZBK-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2,3,3-trimethyl-2H-furo[2,3-a]xanthen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 167.5
[M+Na]+ 335.08898 183.6
[M+NH4]+ 330.13358 177.3
[M+K]+ 351.06292 177.5
[M-H]- 311.09248 172.7
[M+Na-2H]- 333.07443 171.7
[M]+ 312.09921 171.7
[M]- 312.10031 171.7
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

No patent data available for this compound.