CID 118987287

Alpha-d-xyl-(1->3)-beta-d-glca

Structural Information

Molecular Formula
C11H18O11
SMILES
C1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)C(=O)O)O)O)O)O
InChI
InChI=1S/C11H18O11/c12-2-1-20-11(4(14)3(2)13)22-7-5(15)8(9(17)18)21-10(19)6(7)16/h2-8,10-16,19H,1H2,(H,17,18)/t2-,3+,4-,5+,6-,7+,8+,10-,11-/m1/s1
InChIKey
KHUHHRGROFQXMG-BFPSNERPSA-N
Compound name
(2S,3S,4S,5R,6R)-3,5,6-trihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

326.0849 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09218 167.7
[M+Na]+ 349.07412 172.2
[M+NH4]+ 344.11872 168.8
[M+K]+ 365.04806 175.5
[M-H]- 325.07762 166.0
[M+Na-2H]- 347.05957 162.8
[M]+ 326.08435 166.9
[M]- 326.08545 166.9
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