CID 22832131

604813-07-2

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

CCNC(=O)C1=NC=CC(=C1)Cl

InChI

InChI=1S/C8H9ClN2O/c1-2-10-8(12)7-5-6(9)3-4-11-7/h3-5H,2H2,1H3,(H,10,12)

InChIKey

KBQBJOVQVQXLPO-UHFFFAOYSA-N

Compound name

4-chloro-N-ethylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 184.04034 Da
Monoisotopic Mass: 1.5
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]+	185.047616	136.1
[M+Na]+	207.029558	144.9
[M-H]-	183.033064	138.5
[M+NH4]+	202.074163	155.4
[M+K]+	223.003498	141.4
[M+H-H2O]+	167.037600	130.3
[M+HCOO]-	229.038541	155.6
[M+CH3COO]-	243.054191	182.0
[M+Na-2H]-	205.015006	142.8
[M]+	184.03979142	137.7
[M]-	184.04088858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe