CID 128861

Cyanidin

Structural Information

Molecular Formula
C15H11O6
SMILES
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)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/h1-6H,(H4-,16,17,18,19,20)/p+1
InChIKey
VEVZSMAEJFVWIL-UHFFFAOYSA-O
Compound name
2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1078
References

15356
Patents

287.05557 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06285 163.1
[M+Na]+ 310.04479 172.8
[M-H]- 286.04829 167.0
[M+NH4]+ 305.08939 175.3
[M+K]+ 326.01873 163.6
[M+H-H2O]+ 270.05283 159.1
[M+HCOO]- 332.05377 179.0
[M+CH3COO]- 346.06942 184.7
[M+Na-2H]- 308.03024 170.6
[M]+ 287.05502 162.9
[M]- 287.05612 162.9
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

No patent data available for this compound.