CID 446586

2-deoxy-alpha-d-galactopyranose

Structural Information

Molecular Formula
C6H12O5
SMILES
C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O
InChI
InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey
PMMURAAUARKVCB-ARQDHWQXSA-N
Compound name
(2S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

489
Patents

164.06847 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.075746 132.4
[M+Na]+ 187.057688 138.8
[M-H]- 163.061194 131.4
[M+NH4]+ 182.102293 149.3
[M+K]+ 203.031628 138.2
[M+H-H2O]+ 147.065730 128.0
[M+HCOO]- 209.066671 147.6
[M+CH3COO]- 223.082321 167.5
[M+Na-2H]- 185.043136 136.2
[M]+ 164.06792142 128.6
[M]- 164.06901858 128.6
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.