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]+ 299.09728 167.1
[M+Na]+ 321.07922 170.0
[M-H]- 297.08272 168.1
[M+NH4]+ 316.12382 172.4
[M+K]+ 337.05316 173.1
[M+H-H2O]+ 281.08726 160.5
[M+HCOO]- 343.08820 171.9
[M+CH3COO]- 357.10385 191.6
[M+Na-2H]- 319.06467 168.0
[M]+ 298.08945 164.4
[M]- 298.09055 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.