CID 1476814

220000-87-3

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

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

InChI

InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)

InChIKey

BGVBBMZMEKXUTR-UHFFFAOYSA-N

Compound name

4-chloro-N-methylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1027
Patents: 170.02469 Da
Monoisotopic Mass: 1.1
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]+	171.031966	131.4
[M+Na]+	193.013908	140.6
[M-H]-	169.017414	134.0
[M+NH4]+	188.058513	151.3
[M+K]+	208.987848	137.4
[M+H-H2O]+	153.021950	125.8
[M+HCOO]-	215.022891	151.2
[M+CH3COO]-	229.038541	179.0
[M+Na-2H]-	190.999356	138.7
[M]+	170.02414142	132.7
[M]-	170.02523858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe