CID 90658166

1-o-beta-d-malylglucose

Structural Information

Molecular Formula
C10H16O10
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C[C@@H](C(=O)O)O)O)O)O)O
InChI
InChI=1S/C10H16O10/c11-2-4-6(14)7(15)8(16)10(19-4)20-5(13)1-3(12)9(17)18/h3-4,6-8,10-12,14-16H,1-2H2,(H,17,18)/t3-,4+,6+,7-,8+,10-/m0/s1
InChIKey
JNPIKEGPAFWHLI-RFSIWRIWSA-N
Compound name
(2S)-2-hydroxy-4-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

296.07434 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08162 161.2
[M+Na]+ 319.06356 164.8
[M+NH4]+ 314.10816 161.8
[M+K]+ 335.03750 167.9
[M-H]- 295.06706 155.9
[M+Na-2H]- 317.04901 156.2
[M]+ 296.07379 159.1
[M]- 296.07489 159.1
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.