CID 121205229

Ethyl 3-chloro-5,6-dimethylpyridazine-4-carboxylate

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₂

SMILES

CCOC(=O)C1=C(N=NC(=C1C)C)Cl

InChI

InChI=1S/C9H11ClN2O2/c1-4-14-9(13)7-5(2)6(3)11-12-8(7)10/h4H2,1-3H3

InChIKey

YNBMQBKCZSNDIW-UHFFFAOYSA-N

Compound name

ethyl 3-chloro-5,6-dimethylpyridazine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 214.0509 Da
Monoisotopic Mass: 1.8
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]+	215.058176	141.8
[M+Na]+	237.040118	152.8
[M-H]-	213.043624	143.4
[M+NH4]+	232.084723	159.5
[M+K]+	253.014058	149.8
[M+H-H2O]+	197.048160	135.6
[M+HCOO]-	259.049101	158.8
[M+CH3COO]-	273.064751	187.3
[M+Na-2H]-	235.025566	146.4
[M]+	214.05035142	147.2
[M]-	214.05144858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe