CID 3221059

3-chloro-6-(cyclohexylamino)pyridazine

Structural Information

Molecular Formula

C₁₀H₁₄ClN₃

SMILES

C1CCC(CC1)NC2=NN=C(C=C2)Cl

InChI

InChI=1S/C10H14ClN3/c11-9-6-7-10(14-13-9)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,14)

InChIKey

PMMCLFWZCPFXAP-UHFFFAOYSA-N

Compound name

6-chloro-N-cyclohexylpyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19
Patents: 211.08763 Da
Monoisotopic Mass: 2.9
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]+	212.09491	145.6
[M+Na]+	234.07685	151.6
[M-H]-	210.08035	148.3
[M+NH4]+	229.12145	161.6
[M+K]+	250.05079	147.0
[M+H-H2O]+	194.08489	137.1
[M+HCOO]-	256.08583	160.6
[M+CH3COO]-	270.10148	156.6
[M+Na-2H]-	232.06230	151.9
[M]+	211.08708	141.5
[M]-	211.08818	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe