CID 445063

131-48-6

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

7760
References

123384
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 165.8
[M+Na]+ 332.09522 167.8
[M+NH4]+ 327.13982 167.7
[M+K]+ 348.06916 169.5
[M-H]- 308.09872 160.9
[M+Na-2H]- 330.08067 162.4
[M]+ 309.10545 163.7
[M]- 309.10655 163.7
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