CID 448267

5-thio-a/b-d-mannopyranosylamine

Structural Information

Molecular Formula
C6H13NO4S
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O
InChI
InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
InChIKey
FGVRMLQUWLZGLJ-PQMKYFCFSA-N
Compound name
(2S,3S,4S,5S,6R)-2-amino-6-(hydroxymethyl)thiane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05653 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 138.9
[M+Na]+ 218.04575 144.8
[M-H]- 194.04925 136.5
[M+NH4]+ 213.09035 155.7
[M+K]+ 234.01969 141.2
[M+H-H2O]+ 178.05379 134.3
[M+HCOO]- 240.05473 149.5
[M+CH3COO]- 254.07038 175.2
[M+Na-2H]- 216.03120 137.6
[M]+ 195.05598 133.7
[M]- 195.05708 133.7
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

No patent data available for this compound.