CID 6416392

6-(1h-imidazol-1-yl)pyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C8H6N4O2
SMILES
C1=CC(=NN=C1C(=O)O)N2C=CN=C2
InChI
InChI=1S/C8H6N4O2/c13-8(14)6-1-2-7(11-10-6)12-4-3-9-5-12/h1-5H,(H,13,14)
InChIKey
QEDHNJSBVURTND-UHFFFAOYSA-N
Compound name
6-imidazol-1-ylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

190.04907 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05635 137.6
[M+Na]+ 213.03829 147.1
[M-H]- 189.04179 138.3
[M+NH4]+ 208.08289 152.4
[M+K]+ 229.01223 144.2
[M+H-H2O]+ 173.04633 128.4
[M+HCOO]- 235.04727 157.5
[M+CH3COO]- 249.06292 150.0
[M+Na-2H]- 211.02374 143.7
[M]+ 190.04852 137.4
[M]- 190.04962 137.4
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