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 167.1
[M+Na]+ 337.11052 168.5
[M-H]- 313.11402 159.8
[M+NH4]+ 332.15512 174.3
[M+K]+ 353.08446 169.1
[M+H-H2O]+ 297.11856 161.3
[M+HCOO]- 359.11950 172.4
[M+CH3COO]- 373.13515 191.8
[M+Na-2H]- 335.09597 162.9
[M]+ 314.12075 163.7
[M]- 314.12185 163.7
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