CID 2779758

125867-25-6

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CC(C)(C)C(=O)NC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-7(9(14)15)5-4-6-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)

InChIKey

KXLOGMIKCNUSNG-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 222.10045 Da
Monoisotopic Mass: 1.8
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]+	223.10773	149.2
[M+Na]+	245.08967	155.9
[M-H]-	221.09317	150.4
[M+NH4]+	240.13427	165.3
[M+K]+	261.06361	154.3
[M+H-H2O]+	205.09771	142.9
[M+HCOO]-	267.09865	168.9
[M+CH3COO]-	281.11430	188.6
[M+Na-2H]-	243.07512	153.9
[M]+	222.09990	149.1
[M]-	222.10100	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe