CID 133572

2-propylisonicotinamide

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CCCC1=NC=CC(=C1)C(=O)N

InChI

InChI=1S/C9H12N2O/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)

InChIKey

OGXRHACCPMCVIC-UHFFFAOYSA-N

Compound name

2-propylpyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 164.09496 Da
Monoisotopic Mass: 0.8
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]+	165.102236	135.1
[M+Na]+	187.084178	142.6
[M-H]-	163.087684	137.0
[M+NH4]+	182.128783	154.0
[M+K]+	203.058118	140.6
[M+H-H2O]+	147.092220	128.4
[M+HCOO]-	209.093161	158.2
[M+CH3COO]-	223.108811	181.2
[M+Na-2H]-	185.069626	140.7
[M]+	164.09441142	134.2
[M]-	164.09550858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe