CID 5281672

Myricetin

Structural Information

Molecular Formula

C₁₅H₁₀O₈

SMILES

C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

InChI

InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H

InChIKey

IKMDFBPHZNJCSN-UHFFFAOYSA-N

Compound name

3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1751
References: 20878
Patents: 318.03757 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	319.044846	166.5
[M+Na]+	341.026788	177.5
[M-H]-	317.030294	169.4
[M+NH4]+	336.071393	177.2
[M+K]+	357.000728	174.6
[M+H-H2O]+	301.034830	159.7
[M+HCOO]-	363.035771	181.5
[M+CH3COO]-	377.051421	197.7
[M+Na-2H]-	339.012236	169.9
[M]+	318.03702142	168.8
[M]-	318.03811858	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe