CID 10201852

Xylotriose

Structural Information

Molecular Formula
C15H26O13
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3COC([C@@H]([C@H]3O)O)O)O)O)O
InChI
InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13?,14+,15+/m1/s1
InChIKey
JCSJTDYCNQHPRJ-FDVJSPBESA-N
Compound name
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

4139
Patents

414.13733 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14461 189.8
[M+Na]+ 437.12655 193.3
[M+NH4]+ 432.17115 190.0
[M+K]+ 453.10049 197.2
[M-H]- 413.13005 190.8
[M+Na-2H]- 435.11200 183.6
[M]+ 414.13678 189.6
[M]- 414.13788 189.6
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