CID 92136126

6-deoxy-6-sulfoglucono-1,5-lactone(1-)

Structural Information

Molecular Formula
C6H10O8S
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)S(=O)(=O)O
InChI
InChI=1S/C6H10O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H,11,12,13)/t2-,3-,4+,5-/m1/s1
InChIKey
YOMAOVCVRGQULE-SQOUGZDYSA-N
Compound name
[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

242.00964 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01692 147.0
[M+Na]+ 264.99886 153.5
[M+NH4]+ 260.04346 150.4
[M+K]+ 280.97280 152.4
[M-H]- 241.00236 143.8
[M+Na-2H]- 262.98431 145.2
[M]+ 242.00909 146.8
[M]- 242.01019 146.8
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

No patent data available for this compound.