CID 68248

Cyanidin(1-)

Structural Information

Molecular Formula

C₁₅H₁₀O₆

SMILES

C1=CC(=C(C=C1C2=C(C=C3C(=CC(=O)C=C3O2)O)O)O)O

InChI

InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6,17-20H

InChIKey

NIPNPECHKPMAOO-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 791
Patents: 286.04773 Da
Monoisotopic Mass: 0.6
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]+	287.055006	159.5
[M+Na]+	309.036948	170.4
[M-H]-	285.040454	164.4
[M+NH4]+	304.081553	172.7
[M+K]+	325.010888	167.0
[M+H-H2O]+	269.044990	152.6
[M+HCOO]-	331.045931	177.4
[M+CH3COO]-	345.061581	193.5
[M+Na-2H]-	307.022396	165.1
[M]+	286.04718142	161.5
[M]-	286.04827858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe