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

16392
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

literature stripe

Patent stripe

patents stripe