CID 131770061

Pyridine n-oxide glucuronide

Structural Information

Molecular Formula
C11H14NO7
SMILES
C1=CC=[N+](C=C1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C11H13NO7/c13-6-7(14)9(10(16)17)18-11(8(6)15)19-12-4-2-1-3-5-12/h1-9,11,13-15H/p+1/t6-,7-,8+,9-,11-/m1/s1
InChIKey
KITHDEVLYXWSPB-ZBGLXGBJSA-O
Compound name
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-pyridin-1-ium-1-yloxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

272.07703 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.084306 157.5
[M+Na]+ 295.066248 163.2
[M-H]- 271.069754 158.7
[M+NH4]+ 290.110853 167.7
[M+K]+ 311.040188 156.6
[M+H-H2O]+ 255.074290 152.9
[M+HCOO]- 317.075231 170.4
[M+CH3COO]- 331.090881 180.2
[M+Na-2H]- 293.051696 162.2
[M]+ 272.07648142 154.1
[M]- 272.07757858 154.1
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.