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]+ 299.09728 166.6
[M+Na]+ 321.07922 168.3
[M-H]- 297.08272 167.2
[M+NH4]+ 316.12382 171.5
[M+K]+ 337.05316 172.0
[M+H-H2O]+ 281.08726 160.0
[M+HCOO]- 343.08820 170.5
[M+CH3COO]- 357.10385 191.2
[M+Na-2H]- 319.06467 167.0
[M]+ 298.08945 162.8
[M]- 298.09055 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