CID 3050419

99520-32-8

Structural Information

Molecular Formula
C10H18O10
SMILES
C1[C@H](OC(C(O1)O)O)[C@H]([C@H]2[C@H](OC(C(O2)O)O)CO)O
InChI
InChI=1S/C10H18O10/c11-1-3-6(20-10(16)9(15)18-3)5(12)4-2-17-7(13)8(14)19-4/h3-16H,1-2H2/t3-,4+,5-,6-,7?,8?,9?,10?/m1/s1
InChIKey
UPKPBSVFYMMHOG-ZNDUKEQKSA-N
Compound name
(5S,6R)-5-[(R)-[(2S)-5,6-dihydroxy-1,4-dioxan-2-yl]-hydroxymethyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09728 164.8
[M+Na]+ 321.07922 170.4
[M+NH4]+ 316.12382 167.0
[M+K]+ 337.05316 173.1
[M-H]- 297.08272 166.9
[M+Na-2H]- 319.06467 160.5
[M]+ 298.08945 165.4
[M]- 298.09055 165.4
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.