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
1
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 184.3
[M+Na]+ 395.11012 196.5
[M+NH4]+ 390.15472 189.4
[M+K]+ 411.08406 192.7
[M-H]- 371.11362 187.3
[M+Na-2H]- 393.09557 187.1
[M]+ 372.12035 186.7
[M]- 372.12145 186.7
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.