CID 11551129

Selenosugar b

Structural Information

Molecular Formula
C9H17NO5Se
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1[Se]C)CO)O)O
InChI
InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1
InChIKey
AZZZNYGPGINRNT-ZEBDFXRSSA-N
Compound name
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methylselanyloxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.0272 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03448 165.0
[M+Na]+ 322.01642 169.8
[M-H]- 298.01992 164.6
[M+NH4]+ 317.06102 179.0
[M+K]+ 337.99036 168.8
[M+H-H2O]+ 282.02446 158.9
[M+HCOO]- 344.02540 179.9
[M+CH3COO]- 358.04105 190.5
[M+Na-2H]- 320.00187 164.4
[M]+ 299.02665 162.7
[M]- 299.02775 162.7
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

No patent data available for this compound.