CID 439538

1,4-d-xylobiose

Structural Information

Molecular Formula
C10H18O9
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2COC([C@@H]([C@H]2O)O)O)O)O)O
InChI
InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9?,10+/m1/s1
InChIKey
LGQKSQQRKHFMLI-WSNPFVOISA-N
Compound name
(2S,3R,4S,5R)-2-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9061
Patents

282.0951 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10238 159.3
[M+Na]+ 305.08432 165.5
[M+NH4]+ 300.12892 162.5
[M+K]+ 321.05826 166.6
[M-H]- 281.08782 159.5
[M+Na-2H]- 303.06977 156.6
[M]+ 282.09455 159.5
[M]- 282.09565 159.5
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

patents stripe