CID 13543670

98483-00-2

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC(C)C1=CC=C(C(=O)N1)C(=O)O

InChI

InChI=1S/C9H11NO3/c1-5(2)7-4-3-6(9(12)13)8(11)10-7/h3-5H,1-2H3,(H,10,11)(H,12,13)

InChIKey

ZQOMVYJXWOMHKP-UHFFFAOYSA-N

Compound name

2-oxo-6-propan-2-yl-1H-pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 29
Patents: 181.0739 Da
Monoisotopic Mass: 1.6
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]+	182.08118	137.5
[M+Na]+	204.06312	148.9
[M+NH4]+	199.10772	143.7
[M+K]+	220.03706	145.1
[M-H]-	180.06662	136.7
[M+Na-2H]-	202.04857	141.8
[M]+	181.07335	138.6
[M]-	181.07445	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe