CID 3778233

84200-07-7

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1=CN=CC=C1CCC(=O)N

InChI

InChI=1S/C8H10N2O/c9-8(11)2-1-7-3-5-10-6-4-7/h3-6H,1-2H2,(H2,9,11)

InChIKey

FLDCAFAKYCVBLK-UHFFFAOYSA-N

Compound name

3-pyridin-4-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 150.07932 Da
Monoisotopic Mass: -0.3
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]+	151.08660	130.7
[M+Na]+	173.06854	137.7
[M-H]-	149.07204	132.4
[M+NH4]+	168.11314	149.8
[M+K]+	189.04248	135.8
[M+H-H2O]+	133.07658	123.9
[M+HCOO]-	195.07752	154.1
[M+CH3COO]-	209.09317	177.0
[M+Na-2H]-	171.05399	137.5
[M]+	150.07877	129.0
[M]-	150.07987	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe