CID 5793

D-glucopyranose

Structural Information

Molecular Formula
C6H12O6
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKey
WQZGKKKJIJFFOK-GASJEMHNSA-N
Compound name
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

352226
References

860660
Patents

180.06339 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.070666 135.4
[M+Na]+ 203.052608 142.2
[M-H]- 179.056114 133.3
[M+NH4]+ 198.097213 151.1
[M+K]+ 219.026548 141.3
[M+H-H2O]+ 163.060650 131.1
[M+HCOO]- 225.061591 149.2
[M+CH3COO]- 239.077241 169.1
[M+Na-2H]- 201.038056 138.1
[M]+ 180.06284142 131.7
[M]- 180.06393858 131.7
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