CID 53481024

Galactose-beta-1,4-xylose

Structural Information

Molecular Formula
C11H20O10
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C11H20O10/c12-1-3-5(13)7(15)9(17)11(20-3)21-4-2-19-10(18)8(16)6(4)14/h3-18H,1-2H2/t3-,4-,5+,6+,7+,8-,9-,10-,11+/m1/s1
InChIKey
VCTBNHVCBSUQPG-YOUNRWHRSA-N
Compound name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.10565 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11293 167.5
[M+Na]+ 335.09487 171.2
[M-H]- 311.09837 166.1
[M+NH4]+ 330.13947 174.7
[M+K]+ 351.06881 171.8
[M+H-H2O]+ 295.10291 161.3
[M+HCOO]- 357.10385 173.2
[M+CH3COO]- 371.11950 193.2
[M+Na-2H]- 333.08032 166.1
[M]+ 312.10510 163.4
[M]- 312.10620 163.4
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