CID 10869261

3-deoxy-d-glycero-beta-d-galacto-nonulosonate

Structural Information

Molecular Formula
C9H16O9
SMILES
C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1
InChIKey
CLRLHXKNIYJWAW-YOQZMRDMSA-N
Compound name
(2S,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.07944 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08672 155.1
[M+Na]+ 291.06866 158.6
[M+NH4]+ 286.11326 157.9
[M+K]+ 307.04260 159.9
[M-H]- 267.07216 150.0
[M+Na-2H]- 289.05411 152.3
[M]+ 268.07889 153.3
[M]- 268.07999 153.3
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.