CID 15624187

Xi-linalool 3-[rhamnosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C22H38O10
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)(CCC=C(C)C)C=C)O)O)O)O)O)O
InChI
InChI=1S/C22H38O10/c1-6-22(5,9-7-8-11(2)3)32-21-19(28)17(26)15(24)13(31-21)10-29-20-18(27)16(25)14(23)12(4)30-20/h6,8,12-21,23-28H,1,7,9-10H2,2-5H3
InChIKey
SZTBSKBBYWJFEJ-UHFFFAOYSA-N
Compound name
2-[[6-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

462.2465 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.253776 210.4
[M+Na]+ 485.235718 211.2
[M-H]- 461.239224 209.0
[M+NH4]+ 480.280323 212.5
[M+K]+ 501.209658 211.2
[M+H-H2O]+ 445.243760 204.1
[M+HCOO]- 507.244701 211.9
[M+CH3COO]- 521.260351 228.7
[M+Na-2H]- 483.221166 204.4
[M]+ 462.24595142 209.8
[M]- 462.24704858 209.8
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