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 147.8
[M+Na]+ 265.96639 153.7
[M-H]- 241.96989 144.8
[M+NH4]+ 261.01099 163.2
[M+K]+ 281.94033 152.4
[M+H-H2O]+ 225.97443 145.2
[M+HCOO]- 287.97537 161.3
[M+CH3COO]- 301.99102 170.5
[M+Na-2H]- 263.95184 148.5
[M]+ 242.97662 142.3
[M]- 242.97772 142.3
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.