CID 455914

Pyranocoumarin o-me deriv.

Structural Information

Molecular Formula
C15H16O5
SMILES
CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC)C
InChI
InChI=1S/C15H16O5/c1-15(2)14(18-3)12(17)11-9(20-15)6-4-8-5-7-10(16)19-13(8)11/h4-7,12,14,17H,1-3H3
InChIKey
AWOVPDZREVLBAR-UHFFFAOYSA-N
Compound name
10-hydroxy-9-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.09976 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 157.9
[M+Na]+ 299.08898 168.9
[M-H]- 275.09248 164.4
[M+NH4]+ 294.13358 175.7
[M+K]+ 315.06292 168.4
[M+H-H2O]+ 259.09702 151.7
[M+HCOO]- 321.09796 174.9
[M+CH3COO]- 335.11361 198.7
[M+Na-2H]- 297.07443 166.4
[M]+ 276.09921 163.0
[M]- 276.10031 163.0
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.