CID 52940183

(1,3)-beta-xylobiose

Structural Information

Molecular Formula
C10H18O9
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O
InChI
InChI=1S/C10H18O9/c11-3-1-18-10(6(14)5(3)13)19-8-4(12)2-17-9(16)7(8)15/h3-16H,1-2H2/t3-,4-,5+,6-,7-,8+,9-,10+/m1/s1
InChIKey
FVPQAMUWCNJRQW-WFYDOBNLSA-N
Compound name
(2R,3R,4S,5R)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
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

No literature data available for this compound.

Patent stripe

patents stripe