CID 506138

D-ribo-2-nonulofuranosonic acid, 6-(acetylamino)-3,6-dideoxy-

Structural Information

Molecular Formula
C11H19NO9
SMILES
CC(=O)N[C@H]([C@@H]1[C@H](CC(O1)(C(=O)O)O)O)C(C(CO)O)O
InChI
InChI=1S/C11H19NO9/c1-4(14)12-7(8(17)6(16)3-13)9-5(15)2-11(20,21-9)10(18)19/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6?,7-,8?,9-,11?/m0/s1
InChIKey
ZKDMLSDSJQJFAB-JEZNJYRKSA-N
Compound name
(4S,5R)-5-[(1S)-1-acetamido-2,3,4-trihydroxybutyl]-2,4-dihydroxyoxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.106 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11328 166.1
[M+Na]+ 332.09522 167.8
[M-H]- 308.09872 161.6
[M+NH4]+ 327.13982 177.8
[M+K]+ 348.06916 169.2
[M+H-H2O]+ 292.10326 162.2
[M+HCOO]- 354.10420 175.7
[M+CH3COO]- 368.11985 194.7
[M+Na-2H]- 330.08067 162.8
[M]+ 309.10545 162.8
[M]- 309.10655 162.8
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.