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

50
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 147.4
[M+Na]+ 231.08524 153.1
[M-H]- 207.08874 145.3
[M+NH4]+ 226.12984 158.6
[M+K]+ 247.05918 149.3
[M+H-H2O]+ 191.09328 137.9
[M+HCOO]- 253.09422 160.3
[M+CH3COO]- 267.10987 179.6
[M+Na-2H]- 229.07069 152.3
[M]+ 208.09547 140.7
[M]- 208.09657 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