CID 37134583

6-isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC(C)C1=CC=C(C(=O)N1C)C(=O)O

InChI

InChI=1S/C10H13NO3/c1-6(2)8-5-4-7(10(13)14)9(12)11(8)3/h4-6H,1-3H3,(H,13,14)

InChIKey

JEXDNGUMCMJOBV-UHFFFAOYSA-N

Compound name

1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 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]+	196.096816	138.7
[M+Na]+	218.078758	148.0
[M-H]-	194.082264	140.5
[M+NH4]+	213.123363	156.7
[M+K]+	234.052698	146.3
[M+H-H2O]+	178.086800	132.9
[M+HCOO]-	240.087741	159.2
[M+CH3COO]-	254.103391	184.1
[M+Na-2H]-	216.064206	141.5
[M]+	195.08899142	140.5
[M]-	195.09008858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.