CID 42608010

Homoeriodictyol 4'-isobutyrate

Structural Information

Molecular Formula
C20H20O7
SMILES
CC(C)C(=O)OC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC
InChI
InChI=1S/C20H20O7/c1-10(2)20(24)27-15-5-4-11(6-17(15)25-3)16-9-14(23)19-13(22)7-12(21)8-18(19)26-16/h4-8,10,16,21-22H,9H2,1-3H3
InChIKey
IGCZWOGVHOOOEO-UHFFFAOYSA-N
Compound name
[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.128176 183.9
[M+Na]+ 395.110118 190.8
[M-H]- 371.113624 189.9
[M+NH4]+ 390.154723 194.4
[M+K]+ 411.084058 189.8
[M+H-H2O]+ 355.118160 175.9
[M+HCOO]- 417.119101 198.6
[M+CH3COO]- 431.134751 216.3
[M+Na-2H]- 393.095566 183.9
[M]+ 372.12035142 187.7
[M]- 372.12144858 187.7
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.