CID 139600870

6-sulfo-d-glucono-1,5-lactone

Structural Information

Molecular Formula
C6H10O9S
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)OS(=O)(=O)O
InChI
InChI=1S/C6H10O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H,11,12,13)/t2-,3-,4+,5-/m1/s1
InChIKey
XPXSOFVVPLBTRO-SQOUGZDYSA-N
Compound name
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.00455 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01183 149.7
[M+Na]+ 280.99377 155.6
[M+NH4]+ 276.03837 152.5
[M+K]+ 296.96771 155.1
[M-H]- 256.99727 145.9
[M+Na-2H]- 278.97922 147.5
[M]+ 258.00400 149.2
[M]- 258.00510 149.2
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.