CID 53627717

6-(piperazin-1-yl)pyridazine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H12N4O2
SMILES
C1CN(CCN1)C2=NN=C(C=C2)C(=O)O
InChI
InChI=1S/C9H12N4O2/c14-9(15)7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H,14,15)
InChIKey
BMXGTJPVXWZTIU-UHFFFAOYSA-N
Compound name
6-piperazin-1-ylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

208.09602 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 146.7
[M+Na]+ 231.08524 157.9
[M+NH4]+ 226.12984 152.3
[M+K]+ 247.05918 153.6
[M-H]- 207.08874 146.4
[M+Na-2H]- 229.07069 152.2
[M]+ 208.09547 147.8
[M]- 208.09657 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe