CID 56842686

89724dig16

Structural Information

Molecular Formula
C20H38O11
SMILES
CCCCC(CC)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C20H38O11/c1-3-5-6-10(4-2)8-28-19-18(27)16(25)14(23)12(31-19)9-29-20-17(26)15(24)13(22)11(7-21)30-20/h10-27H,3-9H2,1-2H3/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19+,20+/m1/s1
InChIKey
UPMVYAXBQKKDBJ-RVVQGUTQSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-(2-ethylhexoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

454.24142 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24870 207.8
[M+Na]+ 477.23064 207.7
[M-H]- 453.23414 205.0
[M+NH4]+ 472.27524 209.3
[M+K]+ 493.20458 208.6
[M+H-H2O]+ 437.23868 200.3
[M+HCOO]- 499.23962 209.6
[M+CH3COO]- 513.25527 224.7
[M+Na-2H]- 475.21609 200.8
[M]+ 454.24087 208.1
[M]- 454.24197 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.