CID 72812405

Cyanidin 3-o-rhamnoside

Structural Information

Molecular Formula
C21H21O10
SMILES
CC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O
InChI
InChI=1S/C21H20O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25)/p+1
InChIKey
USWXMMRFOWNEOR-UHFFFAOYSA-O
Compound name
2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

433.11346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.120736 203.0
[M+Na]+ 456.102678 209.1
[M-H]- 432.106184 207.6
[M+NH4]+ 451.147283 206.0
[M+K]+ 472.076618 202.9
[M+H-H2O]+ 416.110720 196.5
[M+HCOO]- 478.111661 209.8
[M+CH3COO]- 492.127311 213.3
[M+Na-2H]- 454.088126 204.9
[M]+ 433.11291142 202.8
[M]- 433.11400858 202.8
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