CID 71756073

1394040-94-8

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CN1C=C(C=C(C1=O)Cl)N

InChI

InChI=1S/C6H7ClN2O/c1-9-3-4(8)2-5(7)6(9)10/h2-3H,8H2,1H3

InChIKey

YYQNKMIKNMSDNW-UHFFFAOYSA-N

Compound name

5-amino-3-chloro-1-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 158.02469 Da
Monoisotopic Mass: 0.3
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]+	159.03197	127.0
[M+Na]+	181.01391	138.7
[M-H]-	157.01741	129.9
[M+NH4]+	176.05851	147.8
[M+K]+	196.98785	135.0
[M+H-H2O]+	141.02195	122.1
[M+HCOO]-	203.02289	147.5
[M+CH3COO]-	217.03854	177.5
[M+Na-2H]-	178.99936	133.5
[M]+	158.02414	128.4
[M]-	158.02524	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe