CID 444389

N,o6-disulfo-glucosamine

Structural Information

Molecular Formula
C6H13NO11S2
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O
InChI
InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
InChIKey
DQTRACMFIGDHSN-UKFBFLRUSA-N
Compound name
[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

186
Patents

338.993 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00028 160.4
[M+Na]+ 361.98222 163.4
[M-H]- 337.98572 156.2
[M+NH4]+ 357.02682 167.9
[M+K]+ 377.95616 161.4
[M+H-H2O]+ 321.99026 154.9
[M+HCOO]- 383.99120 162.9
[M+CH3COO]- 398.00685 194.6
[M+Na-2H]- 359.96767 165.0
[M]+ 338.99245 161.4
[M]- 338.99355 161.4
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.