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]+ 373.12818 183.9
[M+Na]+ 395.11012 190.8
[M-H]- 371.11362 189.9
[M+NH4]+ 390.15472 194.4
[M+K]+ 411.08406 189.8
[M+H-H2O]+ 355.11816 175.9
[M+HCOO]- 417.11910 198.6
[M+CH3COO]- 431.13475 216.3
[M+Na-2H]- 393.09557 183.9
[M]+ 372.12035 187.7
[M]- 372.12145 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.