CID 197373

D-glucosamine 2-sulfate sodium salt

Structural Information

Molecular Formula
C6H13NO8S
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)NS(=O)(=O)O)O)O)O)O
InChI
InChI=1S/C6H13NO8S/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9/h1,3-7,9-12H,2H2,(H,13,14,15)/t3-,4+,5+,6+/m0/s1
InChIKey
KZWHEHSUEBTKJM-SLPGGIOYSA-N
Compound name
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1178
Patents

259.0362 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04348 150.0
[M+Na]+ 282.02542 152.4
[M-H]- 258.02892 142.6
[M+NH4]+ 277.07002 162.0
[M+K]+ 297.99936 151.4
[M+H-H2O]+ 242.03346 144.7
[M+HCOO]- 304.03440 158.2
[M+CH3COO]- 318.05005 182.9
[M+Na-2H]- 280.01087 149.1
[M]+ 259.03565 149.1
[M]- 259.03675 149.1
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