CID 16227846

1-(6-ethoxypyridazin-3-yl)-5-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H12N4O3
SMILES
CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)O)C
InChI
InChI=1S/C11H12N4O3/c1-3-18-10-5-4-9(13-14-10)15-7(2)8(6-12-15)11(16)17/h4-6H,3H2,1-2H3,(H,16,17)
InChIKey
LVJCQHONUGHDDT-UHFFFAOYSA-N
Compound name
1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09094 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09822 154.1
[M+Na]+ 271.08016 164.0
[M-H]- 247.08366 155.2
[M+NH4]+ 266.12476 167.1
[M+K]+ 287.05410 160.9
[M+H-H2O]+ 231.08820 144.8
[M+HCOO]- 293.08914 173.1
[M+CH3COO]- 307.10479 191.2
[M+Na-2H]- 269.06561 157.2
[M]+ 248.09039 157.1
[M]- 248.09149 157.1
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.