CID 20596798

1,2:5,6-bis-o-(1,2-dihydroxy-1,2-ethanediyl)-d-glucitol

Structural Information

Molecular Formula
C10H18O10
SMILES
C1C(OC(C(O1)O)O)C(C(C2COC(C(O2)O)O)O)O
InChI
InChI=1S/C10H18O10/c11-5(3-1-17-7(13)9(15)19-3)6(12)4-2-18-8(14)10(16)20-4/h3-16H,1-2H2
InChIKey
LMNBHWACQNFGRH-UHFFFAOYSA-N
Compound name
5-[2-(5,6-dihydroxy-1,4-dioxan-2-yl)-1,2-dihydroxyethyl]-1,4-dioxane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

298.09 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.097276 166.6
[M+Na]+ 321.079218 168.3
[M-H]- 297.082724 167.2
[M+NH4]+ 316.123823 171.5
[M+K]+ 337.053158 172.0
[M+H-H2O]+ 281.087260 160.0
[M+HCOO]- 343.088201 170.5
[M+CH3COO]- 357.103851 191.2
[M+Na-2H]- 319.064666 167.0
[M]+ 298.08945142 162.8
[M]- 298.09054858 162.8
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