CID 822960

2-methyl-6-phenylnicotinic acid

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H11NO2/c1-9-11(13(15)16)7-8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)

InChIKey

XFJZPGWVRLQCHP-UHFFFAOYSA-N

Compound name

2-methyl-6-phenylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 10
Patents: 213.07898 Da
Monoisotopic Mass: 2.4
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]+	214.08626	146.3
[M+Na]+	236.06820	161.3
[M+NH4]+	231.11280	154.5
[M+K]+	252.04214	154.5
[M-H]-	212.07170	149.8
[M+Na-2H]-	234.05365	155.5
[M]+	213.07843	149.5
[M]-	213.07953	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe