CID 448931

3,6-anhydro-alpha-l-galactopyranose

Structural Information

Molecular Formula
C6H10O5
SMILES
C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O
InChI
InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1
InChIKey
DCQFFOLNJVGHLW-DSOBHZJASA-N
Compound name
(1S,3R,4S,5R,8R)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

290
Patents

162.05283 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 128.5
[M+Na]+ 185.04205 137.0
[M+NH4]+ 180.08665 135.9
[M+K]+ 201.01599 136.9
[M-H]- 161.04555 129.2
[M+Na-2H]- 183.02750 127.3
[M]+ 162.05228 129.5
[M]- 162.05338 129.5
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

patents stripe