CID 12404033

65169-44-0

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

CC1=CC(=CN=C1Cl)C(=O)N

InChI

InChI=1S/C7H7ClN2O/c1-4-2-5(7(9)11)3-10-6(4)8/h2-3H,1H3,(H2,9,11)

InChIKey

IQVCWLISHSRAML-UHFFFAOYSA-N

Compound name

6-chloro-5-methylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	131.5
[M+Na]+	193.013908	141.6
[M-H]-	169.017414	133.9
[M+NH4]+	188.058513	151.3
[M+K]+	208.987848	138.0
[M+H-H2O]+	153.021950	126.2
[M+HCOO]-	215.022891	150.7
[M+CH3COO]-	229.038541	180.1
[M+Na-2H]-	190.999356	136.9
[M]+	170.02414142	132.2
[M]-	170.02523858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.