CID 11810418

2'-prenyleriodictyol

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=CCC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C
InChI
InChI=1S/C20H20O6/c1-10(2)3-4-13-12(5-6-14(22)20(13)25)17-9-16(24)19-15(23)7-11(21)8-18(19)26-17/h3,5-8,17,21-23,25H,4,9H2,1-2H3
InChIKey
ZUWPCFTUQUUFQC-UHFFFAOYSA-N
Compound name
2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 183.0
[M+Na]+ 379.11520 190.5
[M-H]- 355.11870 186.6
[M+NH4]+ 374.15980 193.3
[M+K]+ 395.08914 186.6
[M+H-H2O]+ 339.12324 175.8
[M+HCOO]- 401.12418 195.4
[M+CH3COO]- 415.13983 210.2
[M+Na-2H]- 377.10065 182.3
[M]+ 356.12543 182.9
[M]- 356.12653 182.9
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.