CID 73792048

1,2:4,5-bis-o-(1,2-dihydroxy-1,2-ethanediyl)-d-glucitol

Structural Information

Molecular Formula
C10H18O10
SMILES
C1C(OC(C(O1)O)O)C(C2C(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
InChIKey
UPKPBSVFYMMHOG-UHFFFAOYSA-N
Compound name
5-[(5,6-dihydroxy-1,4-dioxan-2-yl)-hydroxymethyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
2
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]+ 299.097276 167.1
[M+Na]+ 321.079218 170.0
[M-H]- 297.082724 168.1
[M+NH4]+ 316.123823 172.4
[M+K]+ 337.053158 173.1
[M+H-H2O]+ 281.087260 160.5
[M+HCOO]- 343.088201 171.9
[M+CH3COO]- 357.103851 191.6
[M+Na-2H]- 319.064666 168.0
[M]+ 298.08945142 164.4
[M]- 298.09054858 164.4
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.