CID 65188

Xanthyletin

Structural Information

Molecular Formula
C14H12O3
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C
InChI
InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
InChIKey
QOTBQNVNUBKJMS-UHFFFAOYSA-N
Compound name
2,2-dimethylpyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

158
Patents

228.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 145.7
[M+Na]+ 251.06786 157.1
[M-H]- 227.07136 153.5
[M+NH4]+ 246.11246 165.8
[M+K]+ 267.04180 156.1
[M+H-H2O]+ 211.07590 139.3
[M+HCOO]- 273.07684 165.8
[M+CH3COO]- 287.09249 160.3
[M+Na-2H]- 249.05331 157.1
[M]+ 228.07809 149.8
[M]- 228.07919 149.8
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

patents stripe