CID 45039323

Galactostatin bisulfite

Structural Information

Molecular Formula
C6H13NO7S
SMILES
C(C1[C@@H](C([C@@H](C(N1)OS(=O)O)O)O)O)O
InChI
InChI=1S/C6H13NO7S/c8-1-2-3(9)4(10)5(11)6(7-2)14-15(12)13/h2-11H,1H2,(H,12,13)/t2?,3-,4?,5-,6?/m0/s1
InChIKey
RJNDHIKHLAMWHE-ZNUJPQJNSA-N
Compound name
[(3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-yl] hydrogen sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.04128 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04856 147.2
[M+Na]+ 266.03050 152.3
[M-H]- 242.03400 141.0
[M+NH4]+ 261.07510 159.4
[M+K]+ 282.00444 149.1
[M+H-H2O]+ 226.03854 142.1
[M+HCOO]- 288.03948 153.0
[M+CH3COO]- 302.05513 176.4
[M+Na-2H]- 264.01595 145.0
[M]+ 243.04073 143.7
[M]- 243.04183 143.7
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

No patent data available for this compound.