CID 5200271

1-(6-chloro-3-pyridazinyl)-4-piperidinol

Structural Information

Molecular Formula

C₉H₁₂ClN₃O

SMILES

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

InChI

InChI=1S/C9H12ClN3O/c10-8-1-2-9(12-11-8)13-5-3-7(14)4-6-13/h1-2,7,14H,3-6H2

InChIKey

GYVIZUPSUNWREG-UHFFFAOYSA-N

Compound name

1-(6-chloropyridazin-3-yl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 213.0669 Da
Monoisotopic Mass: 1.1
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]+	214.07418	145.3
[M+Na]+	236.05612	153.1
[M-H]-	212.05962	145.9
[M+NH4]+	231.10072	159.8
[M+K]+	252.03006	148.4
[M+H-H2O]+	196.06416	136.7
[M+HCOO]-	258.06510	156.9
[M+CH3COO]-	272.08075	156.1
[M+Na-2H]-	234.04157	150.5
[M]+	213.06635	142.0
[M]-	213.06745	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe