CID 11128501

1-deoxynojirimycin-1-sulfonic acid

Structural Information

Molecular Formula
C6H13NO7S
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](N1)S(=O)(=O)O)O)O)O)O
InChI
InChI=1S/C6H13NO7S/c8-1-2-3(9)4(10)5(11)6(7-2)15(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4+,5-,6+/m1/s1
InChIKey
PLICPKOWHZITQE-DVKNGEFBSA-N
Compound name
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidine-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

243.04128 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04856 149.0
[M+Na]+ 266.03050 154.1
[M+NH4]+ 261.07510 151.7
[M+K]+ 282.00444 153.2
[M-H]- 242.03400 143.3
[M+Na-2H]- 264.01595 146.5
[M]+ 243.04073 147.7
[M]- 243.04183 147.7
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