CID 15559441

6-deoxy-beta-d-fructofuranose

Structural Information

Molecular Formula
C6H12O5
SMILES
C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O
InChI
InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m1/s1
InChIKey
CJJCPDZKQKUXSS-ARQDHWQXSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

164.06847 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.075746 130.6
[M+Na]+ 187.057688 138.8
[M-H]- 163.061194 130.2
[M+NH4]+ 182.102293 151.5
[M+K]+ 203.031628 138.1
[M+H-H2O]+ 147.065730 128.1
[M+HCOO]- 209.066671 147.9
[M+CH3COO]- 223.082321 166.6
[M+Na-2H]- 185.043136 135.0
[M]+ 164.06792142 129.2
[M]- 164.06901858 129.2
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