CID 52940105

(1,3)-beta-xylotriose

Structural Information

Molecular Formula
C15H26O13
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[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O
InChI
InChI=1S/C15H26O13/c16-4-1-25-14(8(20)7(4)19)28-12-6(18)3-26-15(10(12)22)27-11-5(17)2-24-13(23)9(11)21/h4-23H,1-3H2/t4-,5-,6-,7+,8-,9-,10-,11+,12+,13-,14+,15+/m1/s1
InChIKey
WKSXOLNEYANUQB-KWGKWNPMSA-N
Compound name
(2R,3R,4S,5R)-4-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyoxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.