CID 320361

7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Structural Information

Molecular Formula
C15H16O8
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2
InChIKey
VPAOSFFTKWUGAD-UHFFFAOYSA-N
Compound name
7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

324.0845 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09178 168.6
[M+Na]+ 347.07372 176.2
[M-H]- 323.07722 173.0
[M+NH4]+ 342.11832 178.5
[M+K]+ 363.04766 175.6
[M+H-H2O]+ 307.08176 161.3
[M+HCOO]- 369.08270 181.6
[M+CH3COO]- 383.09835 200.1
[M+Na-2H]- 345.05917 172.6
[M]+ 324.08395 170.1
[M]- 324.08505 170.1
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