CID 130665910

3-(5-methylpyridin-3-yl)propanamide

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC1=CC(=CN=C1)CCC(=O)N

InChI

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

InChIKey

QZZSQQPBUHLWHE-UHFFFAOYSA-N

Compound name

3-(5-methyl-3-pyridinyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.09496 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]+	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

No literature data available for this compound.

Patent stripe

patents stripe