CID 102571572

Ns00097131

Structural Information

Molecular Formula
C15H14O8
SMILES
CC1(CC2=C(CO1)C(=O)C3=C(O2)C=C(C(=C3C(=O)OC)O)O)O
InChI
InChI=1S/C15H14O8/c1-15(20)4-9-6(5-22-15)12(17)10-8(23-9)3-7(16)13(18)11(10)14(19)21-2/h3,16,18,20H,4-5H2,1-2H3
InChIKey
ASPYFUBXNRBCEV-UHFFFAOYSA-N
Compound name
methyl 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.06888 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.076156 165.9
[M+Na]+ 345.058098 176.0
[M-H]- 321.061604 169.9
[M+NH4]+ 340.102703 180.0
[M+K]+ 361.032038 176.4
[M+H-H2O]+ 305.066140 160.0
[M+HCOO]- 367.067081 179.3
[M+CH3COO]- 381.082731 202.8
[M+Na-2H]- 343.043546 172.4
[M]+ 322.06833142 171.1
[M]- 322.06942858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.