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 174.6
[M+Na]+ 337.14102 182.2
[M-H]- 313.14452 177.2
[M+NH4]+ 332.18562 188.2
[M+K]+ 353.11496 178.1
[M+H-H2O]+ 297.14906 168.1
[M+HCOO]- 359.15000 191.0
[M+CH3COO]- 373.16565 205.3
[M+Na-2H]- 335.12647 175.4
[M]+ 314.15125 177.6
[M]- 314.15235 177.6
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.