CID 159278

Salidroside

Structural Information

Molecular Formula
C14H20O7
SMILES
C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
ILRCGYURZSFMEG-RKQHYHRCSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

817
References

3893
Patents

300.1209 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12818 166.7
[M+Na]+ 323.11012 171.8
[M-H]- 299.11362 167.4
[M+NH4]+ 318.15472 177.2
[M+K]+ 339.08406 169.8
[M+H-H2O]+ 283.11816 160.0
[M+HCOO]- 345.11910 179.5
[M+CH3COO]- 359.13475 193.0
[M+Na-2H]- 321.09557 167.3
[M]+ 300.12035 165.3
[M]- 300.12145 165.3
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