CID 17976138

4-(piperazin-1-yl)pyridazine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₄

SMILES

C1CN(CCN1)C2=CN=NC=C2

InChI

InChI=1S/C8H12N4/c1-2-10-11-7-8(1)12-5-3-9-4-6-12/h1-2,7,9H,3-6H2

InChIKey

JLZJWSWUUOLXCR-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylpyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 164.1062 Da
Monoisotopic Mass: -0.7
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]+	165.113476	137.3
[M+Na]+	187.095418	143.0
[M-H]-	163.098924	136.0
[M+NH4]+	182.140023	150.9
[M+K]+	203.069358	139.4
[M+H-H2O]+	147.103460	127.4
[M+HCOO]-	209.104401	152.3
[M+CH3COO]-	223.120051	147.5
[M+Na-2H]-	185.080866	145.0
[M]+	164.10565142	130.0
[M]-	164.10674858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe