CID 59534429

25462-95-7

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

CC1=CC(=CC(=N1)Cl)C(=O)N

InChI

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

InChIKey

OWXORRMQUDENAB-UHFFFAOYSA-N

Compound name

2-chloro-6-methylpyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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]+	171.03197	131.5
[M+Na]+	193.01391	141.6
[M-H]-	169.01741	133.9
[M+NH4]+	188.05851	151.3
[M+K]+	208.98785	138.0
[M+H-H2O]+	153.02195	126.2
[M+HCOO]-	215.02289	150.7
[M+CH3COO]-	229.03854	180.1
[M+Na-2H]-	190.99936	136.9
[M]+	170.02414	132.2
[M]-	170.02524	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe