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

2
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

patents stripe