CID 18618152

D-glycero-l-galacto-octulose

Structural Information

Molecular Formula
C8H16O8
SMILES
C(C(C1C(C(C(C(O1)(CO)O)O)O)O)O)O
InChI
InChI=1S/C8H16O8/c9-1-3(11)6-4(12)5(13)7(14)8(15,2-10)16-6/h3-7,9-15H,1-2H2
InChIKey
HYWDXGGHANXDIV-UHFFFAOYSA-N
Compound name
6-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

240.08452 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.091796 149.8
[M+Na]+ 263.073738 155.0
[M-H]- 239.077244 144.7
[M+NH4]+ 258.118343 163.2
[M+K]+ 279.047678 154.4
[M+H-H2O]+ 223.081780 146.2
[M+HCOO]- 285.082721 159.0
[M+CH3COO]- 299.098371 176.8
[M+Na-2H]- 261.059186 151.0
[M]+ 240.08397142 145.9
[M]- 240.08506858 145.9
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.