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 167.9
[M+Na]+ 335.08898 181.9
[M-H]- 311.09248 175.3
[M+NH4]+ 330.13358 186.8
[M+K]+ 351.06292 179.1
[M+H-H2O]+ 295.09702 162.7
[M+HCOO]- 357.09796 185.4
[M+CH3COO]- 371.11361 181.5
[M+Na-2H]- 333.07443 174.7
[M]+ 312.09921 175.4
[M]- 312.10031 175.4
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.