CID 10631053

98796-09-9

Structural Information

Molecular Formula

C₆H₈ClN₃O

SMILES

CNC1=C(C(=O)N(N=C1)C)Cl

InChI

InChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3

InChIKey

ACZYSEPOODWZET-UHFFFAOYSA-N

Compound name

4-chloro-2-methyl-5-(methylamino)pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 173.03558 Da
Monoisotopic Mass: 0.5
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]+	174.042856	131.3
[M+Na]+	196.024798	143.0
[M-H]-	172.028304	133.2
[M+NH4]+	191.069403	150.3
[M+K]+	211.998738	139.4
[M+H-H2O]+	156.032840	125.2
[M+HCOO]-	218.033781	151.0
[M+CH3COO]-	232.049431	181.0
[M+Na-2H]-	194.010246	138.8
[M]+	173.03503142	134.1
[M]-	173.03612858	134.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.