CID 13362212

Cm 41127

Structural Information

Molecular Formula

C₁₅H₁₆ClN₃O

SMILES

C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H16ClN3O/c16-12-3-1-11(2-4-12)14-5-6-15(18-17-14)19-9-7-13(20)8-10-19/h1-6,13,20H,7-10H2

InChIKey

NOUKCJJFOMUPLP-UHFFFAOYSA-N

Compound name

1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 289.09818 Da
Monoisotopic Mass: 2.5
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]+	290.105456	166.5
[M+Na]+	312.087398	173.8
[M-H]-	288.090904	170.0
[M+NH4]+	307.132003	177.5
[M+K]+	328.061338	167.0
[M+H-H2O]+	272.095440	155.9
[M+HCOO]-	334.096381	177.3
[M+CH3COO]-	348.112031	175.9
[M+Na-2H]-	310.072846	170.2
[M]+	289.09763142	163.2
[M]-	289.09872858	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.