CID 71587930

Xylityl glucoside

Structural Information

Molecular Formula
C11H22O10
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@@H]([C@H](CO)O)O)O)O)O)O)O
InChI
InChI=1S/C11H22O10/c12-1-4(14)7(16)5(15)3-20-11-10(19)9(18)8(17)6(2-13)21-11/h4-19H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+/m0/s1
InChIKey
LTBAFRQKFIMYQK-DLWPFLMGSA-N
Compound name
(2S,3R,4R)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

713
Patents

314.1213 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12858 167.7
[M+Na]+ 337.11052 169.9
[M+NH4]+ 332.15512 168.0
[M+K]+ 353.08446 173.6
[M-H]- 313.11402 161.8
[M+Na-2H]- 335.09597 161.5
[M]+ 314.12075 165.2
[M]- 314.12185 165.2
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

patents stripe