CID 10880539

6-sulfo-alpha-d-quinovose

Structural Information

Molecular Formula
C6H12O8S
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)S(=O)(=O)O
InChI
InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
InChIKey
QFBWOLBPVQLZEH-GASJEMHNSA-N
Compound name
[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

566
Patents

244.02528 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03256 144.9
[M+Na]+ 267.01450 151.1
[M-H]- 243.01800 142.5
[M+NH4]+ 262.05910 157.9
[M+K]+ 282.98844 149.7
[M+H-H2O]+ 227.02254 140.6
[M+HCOO]- 289.02348 152.7
[M+CH3COO]- 303.03913 177.1
[M+Na-2H]- 264.99995 146.8
[M]+ 244.02473 144.2
[M]- 244.02583 144.2
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

patents stripe