CID 5273362

Refchem:753076

Structural Information

Molecular Formula
C20H38O11
SMILES
CCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C20H38O11/c1-2-3-4-5-6-7-8-28-10-12-14(23)16(25)18(27)20(30-12)31-19-17(26)15(24)13(22)11(9-21)29-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14-,15-,16+,17-,18-,19-,20?/m1/s1
InChIKey
QQOTVHMEZJCKRV-VTCIWJPWSA-N
Compound name
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(octoxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.24142 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24870 207.4
[M+Na]+ 477.23064 207.5
[M-H]- 453.23414 204.6
[M+NH4]+ 472.27524 208.9
[M+K]+ 493.20458 207.7
[M+H-H2O]+ 437.23868 199.6
[M+HCOO]- 499.23962 210.2
[M+CH3COO]- 513.25527 223.6
[M+Na-2H]- 475.21609 201.6
[M]+ 454.24087 208.3
[M]- 454.24197 208.3
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

No patent data available for this compound.