CID 24229195

898561-66-5

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CC(C)(C)C(=O)NC1=NC=C(C=C1)C(=O)O

InChI

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

InChIKey

QCCYRUYZQOXLGV-UHFFFAOYSA-N

Compound name

6-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.10045 Da
Monoisotopic Mass: 1.3
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]+	223.107726	149.2
[M+Na]+	245.089668	155.9
[M-H]-	221.093174	150.4
[M+NH4]+	240.134273	165.3
[M+K]+	261.063608	154.3
[M+H-H2O]+	205.097710	142.9
[M+HCOO]-	267.098651	168.9
[M+CH3COO]-	281.114301	188.6
[M+Na-2H]-	243.075116	153.9
[M]+	222.09990142	149.1
[M]-	222.10099858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.