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

351702
References

852348
Patents

180.06339 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07067 135.4
[M+Na]+ 203.05261 142.2
[M-H]- 179.05611 133.3
[M+NH4]+ 198.09721 151.1
[M+K]+ 219.02655 141.3
[M+H-H2O]+ 163.06065 131.1
[M+HCOO]- 225.06159 149.2
[M+CH3COO]- 239.07724 169.1
[M+Na-2H]- 201.03806 138.1
[M]+ 180.06284 131.7
[M]- 180.06394 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