CID 440446

Methyl-2-alpha-l-fucopyranosyl-beta-d-galactoside

Structural Information

Molecular Formula
C13H24O10
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC)CO)O)O)O)O)O
InChI
InChI=1S/C13H24O10/c1-4-6(15)8(17)10(19)12(21-4)23-11-9(18)7(16)5(3-14)22-13(11)20-2/h4-19H,3H2,1-2H3/t4-,5+,6+,7-,8+,9-,10-,11+,12-,13+/m0/s1
InChIKey
ZUPSABSQBFCIOU-IBVRSMRASA-N
Compound name
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13693 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14421 175.7
[M+Na]+ 363.12615 179.9
[M-H]- 339.12965 175.7
[M+NH4]+ 358.17075 182.9
[M+K]+ 379.10009 181.1
[M+H-H2O]+ 323.13419 169.4
[M+HCOO]- 385.13513 182.3
[M+CH3COO]- 399.15078 202.3
[M+Na-2H]- 361.11160 173.3
[M]+ 340.13638 174.6
[M]- 340.13748 174.6
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

No patent data available for this compound.