CID 4962252

114780-06-2

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

CN(C)C(=O)C1=NC=CC(=C1)Cl

InChI

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

InChIKey

UIYJJRGPGYNXNE-UHFFFAOYSA-N

Compound name

4-chloro-N,N-dimethylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 184.04034 Da
Monoisotopic Mass: 1.3
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]+	185.04762	135.6
[M+Na]+	207.02956	149.0
[M+NH4]+	202.07416	144.3
[M+K]+	223.00350	142.9
[M-H]-	183.03306	137.9
[M+Na-2H]-	205.01501	143.2
[M]+	184.03979	138.4
[M]-	184.04089	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe