CID 10242910

147269-18-9

Structural Information

Molecular Formula

C₁₃H₁₁NO₃

SMILES

CC1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C13H11NO3/c1-8-2-4-9(5-3-8)11-7-6-10(13(16)17)12(15)14-11/h2-7H,1H3,(H,14,15)(H,16,17)

InChIKey

QNBFRRBMCSIZER-UHFFFAOYSA-N

Compound name

6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 229.0739 Da
Monoisotopic Mass: 2.5
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]+	230.081176	148.0
[M+Na]+	252.063118	157.1
[M-H]-	228.066624	151.5
[M+NH4]+	247.107723	163.3
[M+K]+	268.037058	152.5
[M+H-H2O]+	212.071160	140.8
[M+HCOO]-	274.072101	168.4
[M+CH3COO]-	288.087751	185.6
[M+Na-2H]-	250.048566	152.4
[M]+	229.07335142	147.0
[M]-	229.07444858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe