CID 13129505

Methyl 6-phenylnicotinate

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

COC(=O)C1=CN=C(C=C1)C2=CC=CC=C2

InChI

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

InChIKey

DXHZSBAEWGPUKI-UHFFFAOYSA-N

Compound name

methyl 6-phenylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
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	146.1
[M+Na]+	236.06820	161.3
[M+NH4]+	231.11280	154.7
[M+K]+	252.04214	153.9
[M-H]-	212.07170	150.1
[M+Na-2H]-	234.05365	156.2
[M]+	213.07843	149.5
[M]-	213.07953	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe