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

3
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

patents stripe