CID 60160600

3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-d-galacto-non-2-ulosonic acid

Structural Information

Molecular Formula
C11H19NO10
SMILES
C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O
InChI
InChI=1S/C11H19NO10/c13-2-6(17)9(19)10(20)8(12-7(18)3-14)4(15)1-5(16)11(21)22/h4,6,8-10,13-15,17,19-20H,1-3H2,(H,12,18)(H,21,22)/t4-,6+,8+,9+,10+/m0/s1
InChIKey
SUHQNCLNRUAGOO-KQCZLNONSA-N
Compound name
(4S,5R,6R,7S,8R)-4,6,7,8,9-pentahydroxy-5-[(2-hydroxyacetyl)amino]-2-oxononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

325.1009 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10818 168.6
[M+Na]+ 348.09012 167.8
[M-H]- 324.09362 183.5
[M+NH4]+ 343.13472 178.0
[M+K]+ 364.06406 169.5
[M+H-H2O]+ 308.09816 162.5
[M+HCOO]- 370.09910 167.1
[M+CH3COO]- 384.11475 198.5
[M+Na-2H]- 346.07557 160.6
[M]+ 325.10035 170.2
[M]- 325.10145 170.2
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