CID 5460231

2-n,6-o-disulfonato-d-glucosamine(2-)

Structural Information

Molecular Formula
C6H13NO11S2
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)NS(=O)(=O)O)O)O)O)OS(=O)(=O)O
InChI
InChI=1S/C6H13NO11S2/c8-1-3(7-19(12,13)14)5(10)6(11)4(9)2-18-20(15,16)17/h1,3-7,9-11H,2H2,(H,12,13,14)(H,15,16,17)/t3-,4+,5+,6+/m0/s1
InChIKey
BQSMUQUKNCGJCT-SLPGGIOYSA-N
Compound name
[(2R,3R,4S,5R)-3,4,5-trihydroxy-1-oxo-6-sulfooxyhexan-2-yl]sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

338.993 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00028 161.5
[M+Na]+ 361.98222 161.9
[M-H]- 337.98572 152.8
[M+NH4]+ 357.02682 168.7
[M+K]+ 377.95616 160.3
[M+H-H2O]+ 321.99026 155.5
[M+HCOO]- 383.99120 163.3
[M+CH3COO]- 398.00685 193.9
[M+Na-2H]- 359.96767 163.0
[M]+ 338.99245 163.2
[M]- 338.99355 163.2
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