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 145.2
[M+Na]+ 280.99377 151.8
[M-H]- 256.99727 144.1
[M+NH4]+ 276.03837 158.1
[M+K]+ 296.96771 151.3
[M+H-H2O]+ 241.00181 140.6
[M+HCOO]- 303.00275 154.9
[M+CH3COO]- 317.01840 180.9
[M+Na-2H]- 278.97922 148.0
[M]+ 258.00400 147.1
[M]- 258.00510 147.1
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.