CID 124079402

8-geranylesculetin

Structural Information

Molecular Formula
C19H22O4
SMILES
CC(=CCC/C(=C/CC1=C2C(=CC(=C1O)O)C=CC(=O)O2)/C)C
InChI
InChI=1S/C19H22O4/c1-12(2)5-4-6-13(3)7-9-15-18(22)16(20)11-14-8-10-17(21)23-19(14)15/h5,7-8,10-11,20,22H,4,6,9H2,1-3H3/b13-7+
InChIKey
UFGRMMQWQBIHJB-NTUHNPAUSA-N
Compound name
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,7-dihydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1518 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 174.7
[M+Na]+ 337.14102 186.9
[M+NH4]+ 332.18562 180.4
[M+K]+ 353.11496 181.1
[M-H]- 313.14452 176.3
[M+Na-2H]- 335.12647 176.9
[M]+ 314.15125 176.7
[M]- 314.15235 176.7
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.