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]+ 313.107036 167.9
[M+Na]+ 335.088978 181.9
[M-H]- 311.092484 175.3
[M+NH4]+ 330.133583 186.8
[M+K]+ 351.062918 179.1
[M+H-H2O]+ 295.097020 162.7
[M+HCOO]- 357.097961 185.4
[M+CH3COO]- 371.113611 181.5
[M+Na-2H]- 333.074426 174.7
[M]+ 312.09921142 175.4
[M]- 312.10030858 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.