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

40
Patents

208.09602 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.103296 147.4
[M+Na]+ 231.085238 153.1
[M-H]- 207.088744 145.3
[M+NH4]+ 226.129843 158.6
[M+K]+ 247.059178 149.3
[M+H-H2O]+ 191.093280 137.9
[M+HCOO]- 253.094221 160.3
[M+CH3COO]- 267.109871 179.6
[M+Na-2H]- 229.070686 152.3
[M]+ 208.09547142 140.7
[M]- 208.09656858 140.7
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