CID 11064965

3-(piperazin-1-yl)pyridazine

Structural Information

Molecular Formula
C8H12N4
SMILES
C1CN(CCN1)C2=NN=CC=C2
InChI
InChI=1S/C8H12N4/c1-2-8(11-10-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
InChIKey
MIPXOMNITKFHDA-UHFFFAOYSA-N
Compound name
3-piperazin-1-ylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

262
Patents

164.1062 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11348 137.3
[M+Na]+ 187.09542 143.0
[M-H]- 163.09892 136.0
[M+NH4]+ 182.14002 150.9
[M+K]+ 203.06936 139.4
[M+H-H2O]+ 147.10346 127.4
[M+HCOO]- 209.10440 152.3
[M+CH3COO]- 223.12005 147.5
[M+Na-2H]- 185.08087 145.0
[M]+ 164.10565 130.0
[M]- 164.10675 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe