CID 172407960

1-seleno-beta-d-glucose

Structural Information

Molecular Formula
C6H11O5Se
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[Se-])O)O)O)O
InChI
InChI=1S/C6H12O5Se/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/p-1/t2-,3-,4+,5-,6+/m1/s1
InChIKey
XMSPWIIXRSCFJF-DVKNGEFBSA-M
Compound name
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-selenolate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.97717 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.98445 144.6
[M+Na]+ 265.96639 152.6
[M+NH4]+ 261.01099 149.6
[M+K]+ 281.94033 151.1
[M-H]- 241.96989 143.5
[M+Na-2H]- 263.95184 143.3
[M]+ 242.97662 144.6
[M]- 242.97772 144.6
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.