CID 13965870

Honyudisin

Structural Information

Molecular Formula
C19H20O4
SMILES
CC(=CCC1=C2C(=C3C(=C1O)C=CC(=O)O3)C=CC(O2)(C)C)C
InChI
InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3
InChIKey
QMEMHCMQAQFMEL-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 171.9
[M+Na]+ 335.12539 182.3
[M-H]- 311.12889 178.1
[M+NH4]+ 330.16999 188.1
[M+K]+ 351.09933 180.1
[M+H-H2O]+ 295.13343 165.2
[M+HCOO]- 357.13437 187.9
[M+CH3COO]- 371.15002 207.5
[M+Na-2H]- 333.11084 177.7
[M]+ 312.13562 176.8
[M]- 312.13672 176.8
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

No patent data available for this compound.