CID 5278296

Pyridine deriv. 40

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CC(=O)NC1=CN=C(C=C1N)C(=O)O
InChI
InChI=1S/C8H9N3O3/c1-4(12)11-7-3-10-6(8(13)14)2-5(7)9/h2-3H,1H3,(H2,9,10)(H,11,12)(H,13,14)
InChIKey
OKNLQYZKSDZFTL-UHFFFAOYSA-N
Compound name
5-acetamido-4-aminopyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

195.06439 Da
Monoisotopic Mass

-0.8
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

patents stripe