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
4
Annotation Hits

1
References

1961
Patents

259.0362 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04348 148.4
[M+Na]+ 282.02542 153.5
[M-H]- 258.02892 145.7
[M+NH4]+ 277.07002 160.3
[M+K]+ 297.99936 152.0
[M+H-H2O]+ 242.03346 143.4
[M+HCOO]- 304.03440 157.0
[M+CH3COO]- 318.05005 182.8
[M+Na-2H]- 280.01087 150.8
[M]+ 259.03565 146.8
[M]- 259.03675 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

patents stripe