CID 121205226

Ethyl 3-chloro-6-cyclopropylpyridazine-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₂

SMILES

CCOC(=O)C1=CC(=NN=C1Cl)C2CC2

InChI

InChI=1S/C10H11ClN2O2/c1-2-15-10(14)7-5-8(6-3-4-6)12-13-9(7)11/h5-6H,2-4H2,1H3

InChIKey

ITHFDWNDIYOINO-UHFFFAOYSA-N

Compound name

ethyl 3-chloro-6-cyclopropylpyridazine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.0509 Da
Monoisotopic Mass: 1.6
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]+	227.058176	150.6
[M+Na]+	249.040118	161.6
[M-H]-	225.043624	155.3
[M+NH4]+	244.084723	162.4
[M+K]+	265.014058	156.9
[M+H-H2O]+	209.048160	142.8
[M+HCOO]-	271.049101	167.8
[M+CH3COO]-	285.064751	190.6
[M+Na-2H]-	247.025566	155.0
[M]+	226.05035142	156.5
[M]-	226.05144858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe