CID 506006

D-glycero-d-galacto-nononic acid, 5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-

Structural Information

Molecular Formula
C11H20N2O7
SMILES
CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N
InChI
InChI=1S/C11H20N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h5-10,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,7?,8+,9+,10+/m0/s1
InChIKey
PVGKVDAKKWMIIJ-CTTPWDMVSA-N
Compound name
(4S,5R,6R)-5-acetamido-4-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.12704 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13432 166.0
[M+Na]+ 315.11626 167.7
[M-H]- 291.11976 163.6
[M+NH4]+ 310.16086 175.9
[M+K]+ 331.09020 168.4
[M+H-H2O]+ 275.12430 159.6
[M+HCOO]- 337.12524 177.7
[M+CH3COO]- 351.14089 200.5
[M+Na-2H]- 313.10171 162.2
[M]+ 292.12649 160.3
[M]- 292.12759 160.3
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.