CID 20982964

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

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CCN(C1)C2=NN=C(C=C2)C(=O)O
InChI
InChI=1S/C9H11N3O2/c13-9(14)7-3-4-8(11-10-7)12-5-1-2-6-12/h3-4H,1-2,5-6H2,(H,13,14)
InChIKey
OISOFZDSWCBOQJ-UHFFFAOYSA-N
Compound name
6-pyrrolidin-1-ylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.0
[M+Na]+ 216.074348 148.0
[M-H]- 192.077854 142.2
[M+NH4]+ 211.118953 157.0
[M+K]+ 232.048288 145.6
[M+H-H2O]+ 176.082390 132.4
[M+HCOO]- 238.083331 159.1
[M+CH3COO]- 252.098981 178.5
[M+Na-2H]- 214.059796 144.6
[M]+ 193.08458142 137.8
[M]- 193.08567858 137.8
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

No patent data available for this compound.