CID 33698292

867130-30-1

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CC1=NN(C(=O)C=C1Cl)C

InChI

InChI=1S/C6H7ClN2O/c1-4-5(7)3-6(10)9(2)8-4/h3H,1-2H3

InChIKey

YLEXJPGLTXIJHL-UHFFFAOYSA-N

Compound name

5-chloro-2,6-dimethylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 158.02469 Da
Monoisotopic Mass: 0.6
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]+	159.031966	125.6
[M+Na]+	181.013908	138.1
[M-H]-	157.017414	127.5
[M+NH4]+	176.058513	145.6
[M+K]+	196.987848	134.8
[M+H-H2O]+	141.021950	120.0
[M+HCOO]-	203.022891	144.2
[M+CH3COO]-	217.038541	176.2
[M+Na-2H]-	178.999356	132.9
[M]+	158.02414142	129.1
[M]-	158.02523858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe