CID 10329646

Methyl 3-(3-pyridyl)propionate

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

COC(=O)CCC1=CN=CC=C1

InChI

InChI=1S/C9H11NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,4-5H2,1H3

InChIKey

FQRRQPZYIYAPAV-UHFFFAOYSA-N

Compound name

methyl 3-pyridin-3-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 165.07898 Da
Monoisotopic Mass: 0.7
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]+	166.08626	134.6
[M+Na]+	188.06820	147.1
[M+NH4]+	183.11280	142.5
[M+K]+	204.04214	141.0
[M-H]-	164.07170	135.7
[M+Na-2H]-	186.05365	141.5
[M]+	165.07843	136.5
[M]-	165.07953	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe