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]+ 196.071666 140.0
[M+Na]+ 218.053608 147.5
[M-H]- 194.057114 141.2
[M+NH4]+ 213.098213 156.6
[M+K]+ 234.027548 145.8
[M+H-H2O]+ 178.061650 133.2
[M+HCOO]- 240.062591 162.6
[M+CH3COO]- 254.078241 185.8
[M+Na-2H]- 216.039056 144.0
[M]+ 195.06384142 138.0
[M]- 195.06493858 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.