CID 22833524

Sialosonate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

55
Patents

268.07944 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08672 156.5
[M+Na]+ 291.06866 157.5
[M-H]- 267.07216 146.4
[M+NH4]+ 286.11326 166.6
[M+K]+ 307.04260 158.4
[M+H-H2O]+ 251.07670 151.3
[M+HCOO]- 313.07764 164.1
[M+CH3COO]- 327.09329 184.6
[M+Na-2H]- 289.05411 149.9
[M]+ 268.07889 152.7
[M]- 268.07999 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.