CID 5273361

Yh019

Structural Information

Molecular Formula
C28H54O11
SMILES
CCCCCCCCOC[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)COCCCCCCCC)O)O)O)O)O)O
InChI
InChI=1S/C28H54O11/c1-3-5-7-9-11-13-15-35-17-19-21(29)23(31)25(33)27(37-19)39-28-26(34)24(32)22(30)20(38-28)18-36-16-14-12-10-8-6-4-2/h19-34H,3-18H2,1-2H3/t19-,20-,21-,22-,23-,24+,25-,26-,27-,28?/m1/s1
InChIKey
WFBJKRJMQXACOG-OKSHEKMRSA-N
Compound name
(2R,3S,4S,5R)-2-(octoxymethyl)-6-[(2R,3R,4R,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

566.36664 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.37392 239.6
[M+Na]+ 589.35586 236.6
[M-H]- 565.35936 236.5
[M+NH4]+ 584.40046 237.2
[M+K]+ 605.32980 236.2
[M+H-H2O]+ 549.36390 230.4
[M+HCOO]- 611.36484 241.2
[M+CH3COO]- 625.38049 247.9
[M+Na-2H]- 587.34131 230.7
[M]+ 566.36609 244.8
[M]- 566.36719 244.8
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

No patent data available for this compound.