CID 3043791

56149-32-7

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CCCCNC(=O)C1=C(N=CC=C1)Cl

InChI

InChI=1S/C10H13ClN2O/c1-2-3-6-13-10(14)8-5-4-7-12-9(8)11/h4-5,7H,2-3,6H2,1H3,(H,13,14)

InChIKey

LBORWQKGAKVTME-UHFFFAOYSA-N

Compound name

N-butyl-2-chloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.07164 Da
Monoisotopic Mass: 2.3
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]+	213.078916	145.4
[M+Na]+	235.060858	153.3
[M-H]-	211.064364	147.4
[M+NH4]+	230.105463	163.5
[M+K]+	251.034798	149.4
[M+H-H2O]+	195.068900	139.1
[M+HCOO]-	257.069841	164.2
[M+CH3COO]-	271.085491	188.0
[M+Na-2H]-	233.046306	151.0
[M]+	212.07109142	147.8
[M]-	212.07218858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe