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

823
Patents

286.04773 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 160.6
[M+Na]+ 309.03695 175.9
[M+NH4]+ 304.08155 167.1
[M+K]+ 325.01089 171.1
[M-H]- 285.04045 164.4
[M+Na-2H]- 307.02240 166.4
[M]+ 286.04718 163.8
[M]- 286.04828 163.8
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