CID 616063

19573-01-4

Structural Information

Molecular Formula
C17H18O7
SMILES
CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
InChI
InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3
InChIKey
PKRPFNXROFUNDE-UHFFFAOYSA-N
Compound name
9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

262
Patents

334.10526 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11254 172.7
[M+Na]+ 357.09448 182.5
[M-H]- 333.09798 178.2
[M+NH4]+ 352.13908 186.8
[M+K]+ 373.06842 182.7
[M+H-H2O]+ 317.10252 167.5
[M+HCOO]- 379.10346 190.2
[M+CH3COO]- 393.11911 206.2
[M+Na-2H]- 355.07993 179.6
[M]+ 334.10471 182.7
[M]- 334.10581 182.7
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.