CID 72281

Hesperetin

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
InChIKey
AIONOLUJZLIMTK-AWEZNQCLSA-N
Compound name
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

923
References

16087
Patents

302.07904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 165.9
[M+Na]+ 325.06826 179.7
[M+NH4]+ 320.11286 172.5
[M+K]+ 341.04220 174.8
[M-H]- 301.07176 169.7
[M+Na-2H]- 323.05371 170.3
[M]+ 302.07849 168.9
[M]- 302.07959 168.9
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

patents stripe