CID 439388

Beta-d-glucosamine sulfate

Structural Information

Molecular Formula
C6H13NO8S
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)O
InChI
InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6-/m1/s1
InChIKey
PRDZVHCOEWJPOB-QZABAPFNSA-N
Compound name
[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1846
Patents

259.0362 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.043476 148.4
[M+Na]+ 282.025418 153.5
[M-H]- 258.028924 145.7
[M+NH4]+ 277.070023 160.3
[M+K]+ 297.999358 152.0
[M+H-H2O]+ 242.033460 143.4
[M+HCOO]- 304.034401 157.0
[M+CH3COO]- 318.050051 182.8
[M+Na-2H]- 280.010866 150.8
[M]+ 259.03565142 146.8
[M]- 259.03674858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.