CID 14827427

6-c-(3-hydroxyisopentyl)eriodictyol

Structural Information

Molecular Formula
C20H22O7
SMILES
CC(C)(CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)O)O)O)O
InChI
InChI=1S/C20H22O7/c1-20(2,26)6-5-11-13(22)8-17-18(19(11)25)15(24)9-16(27-17)10-3-4-12(21)14(23)7-10/h3-4,7-8,16,21-23,25-26H,5-6,9H2,1-2H3
InChIKey
AUWAYTAMBAVTLA-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.13657 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 187.0
[M+Na]+ 397.12579 194.0
[M-H]- 373.12929 189.4
[M+NH4]+ 392.17039 195.9
[M+K]+ 413.09973 191.0
[M+H-H2O]+ 357.13383 180.3
[M+HCOO]- 419.13477 197.3
[M+CH3COO]- 433.15042 211.6
[M+Na-2H]- 395.11124 188.5
[M]+ 374.13602 187.6
[M]- 374.13712 187.6
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

patents stripe