CID 91861897

Chebi:145587

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@H]2[C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3(15)9-6(17)8(19)12(23-9)21-4(2-14)10-5(16)7(18)11(20)22-10/h3-20H,1-2H2/t3-,4-,5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
InChIKey
PUGHZUFESKUDNP-RYRYQYGESA-N
Compound name
(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1162 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.123476 171.3
[M+Na]+ 365.105418 173.4
[M-H]- 341.108924 168.8
[M+NH4]+ 360.150023 179.7
[M+K]+ 381.079358 174.5
[M+H-H2O]+ 325.113460 167.4
[M+HCOO]- 387.114401 177.6
[M+CH3COO]- 401.130051 196.2
[M+Na-2H]- 363.090866 166.1
[M]+ 342.11565142 169.4
[M]- 342.11674858 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.