CID 5278294

Pyridine deriv. 34

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CC(=O)NC1=C(N=C(C=C1)C(=O)O)N
InChI
InChI=1S/C8H9N3O3/c1-4(12)10-5-2-3-6(8(13)14)11-7(5)9/h2-3H,1H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKey
KPAKLTBYPQSGHN-UHFFFAOYSA-N
Compound name
5-acetamido-6-aminopyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

195.06439 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 140.0
[M+Na]+ 218.05361 147.5
[M-H]- 194.05711 141.2
[M+NH4]+ 213.09821 156.6
[M+K]+ 234.02755 145.8
[M+H-H2O]+ 178.06165 133.2
[M+HCOO]- 240.06259 162.6
[M+CH3COO]- 254.07824 185.8
[M+Na-2H]- 216.03906 144.0
[M]+ 195.06384 138.0
[M]- 195.06494 138.0
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.