CID 160873

D-xylose, 4-o-beta-d-xylopyranosyl-

Structural Information

Molecular Formula
C10H18O9
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O
InChI
InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1
InChIKey
SQNRKWHRVIAKLP-RSZZQXBVSA-N
Compound name
(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

144
References

6234
Patents

282.0951 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10238 158.7
[M+Na]+ 305.08432 161.2
[M-H]- 281.08782 154.1
[M+NH4]+ 300.12892 168.5
[M+K]+ 321.05826 161.9
[M+H-H2O]+ 265.09236 153.0
[M+HCOO]- 327.09330 167.4
[M+CH3COO]- 341.10895 187.6
[M+Na-2H]- 303.06977 156.4
[M]+ 282.09455 155.9
[M]- 282.09565 155.9
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