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

33
Patents

240.08452 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09180 149.8
[M+Na]+ 263.07374 155.0
[M-H]- 239.07724 144.7
[M+NH4]+ 258.11834 163.2
[M+K]+ 279.04768 154.4
[M+H-H2O]+ 223.08178 146.2
[M+HCOO]- 285.08272 159.0
[M+CH3COO]- 299.09837 176.8
[M+Na-2H]- 261.05919 151.0
[M]+ 240.08397 145.9
[M]- 240.08507 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

patents stripe