CID 10470862

Onogenin

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=CC2=C(C=C1C3COC4=C(C3=O)C=CC(=C4)O)OCO2
InChI
InChI=1S/C17H14O6/c1-20-13-6-16-15(22-8-23-16)5-11(13)12-7-21-14-4-9(18)2-3-10(14)17(12)19/h2-6,12,18H,7-8H2,1H3
InChIKey
DZXJXYRRENIUNP-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.07904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 167.1
[M+Na]+ 337.06826 176.3
[M-H]- 313.07176 176.9
[M+NH4]+ 332.11286 180.9
[M+K]+ 353.04220 176.3
[M+H-H2O]+ 297.07630 161.0
[M+HCOO]- 359.07724 183.3
[M+CH3COO]- 373.09289 179.5
[M+Na-2H]- 335.05371 172.3
[M]+ 314.07849 171.3
[M]- 314.07959 171.3
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.