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
3
Annotation Hits

1
References

1832
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

No literature data available for this compound.

Patent stripe

patents stripe