CID 60608

34562-97-5

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

C1=CC(=CN=C1)C(=O)NCCCC(=O)O

InChI

InChI=1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14)

InChIKey

NAJVRARAUNYNDX-UHFFFAOYSA-N

Compound name

4-(pyridine-3-carbonylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 40
References: 778
Patents: 208.0848 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.092076	145.0
[M+Na]+	231.074018	150.6
[M-H]-	207.077524	145.6
[M+NH4]+	226.118623	161.1
[M+K]+	247.047958	148.7
[M+H-H2O]+	191.082060	137.8
[M+HCOO]-	253.083001	166.6
[M+CH3COO]-	267.098651	184.7
[M+Na-2H]-	229.059466	150.1
[M]+	208.08425142	144.7
[M]-	208.08534858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe