CID 168475441

Beta-d-seglcnac(1-)

Structural Information

Molecular Formula
C8H14NO5Se
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se-])CO)O)O
InChI
InChI=1S/C8H15NO5Se/c1-3(11)9-5-7(13)6(12)4(2-10)14-8(5)15/h4-8,10,12-13,15H,2H2,1H3,(H,9,11)/p-1/t4-,5-,6-,7-,8+/m1/s1
InChIKey
VFPDTXQTLXFSOX-PVFLNQBWSA-M
Compound name
(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxane-2-selenolate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.00372 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.01100 156.9
[M+Na]+ 306.99294 163.5
[M+NH4]+ 302.03754 161.0
[M+K]+ 322.96688 162.4
[M-H]- 282.99644 156.1
[M+Na-2H]- 304.97839 154.9
[M]+ 284.00317 156.6
[M]- 284.00427 156.6
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

No patent data available for this compound.