CID 4465944

2-chloro-n,n-diethylnicotinamide

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

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

InChI

InChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)8-6-5-7-12-9(8)11/h5-7H,3-4H2,1-2H3

InChIKey

UEKCGMIHMFNDNI-UHFFFAOYSA-N

Compound name

2-chloro-N,N-diethylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 212.07164 Da
Monoisotopic Mass: 2.0
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	144.8
[M+Na]+	235.060858	152.9
[M-H]-	211.064364	148.4
[M+NH4]+	230.105463	163.7
[M+K]+	251.034798	150.4
[M+H-H2O]+	195.068900	138.4
[M+HCOO]-	257.069841	164.2
[M+CH3COO]-	271.085491	191.5
[M+Na-2H]-	233.046306	149.8
[M]+	212.07109142	148.6
[M]-	212.07218858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe