CID 16227990

5-methyl-1-(6-oxo-1,6-dihydropyridazin-3-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H8N4O3
SMILES
CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)O
InChI
InChI=1S/C9H8N4O3/c1-5-6(9(15)16)4-10-13(5)7-2-3-8(14)12-11-7/h2-4H,1H3,(H,12,14)(H,15,16)
InChIKey
BEWZIULCPLUCNW-UHFFFAOYSA-N
Compound name
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.05965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.06693 145.6
[M+Na]+ 243.04887 156.2
[M-H]- 219.05237 145.7
[M+NH4]+ 238.09347 159.0
[M+K]+ 259.02281 152.1
[M+H-H2O]+ 203.05691 137.1
[M+HCOO]- 265.05785 164.0
[M+CH3COO]- 279.07350 182.2
[M+Na-2H]- 241.03432 149.2
[M]+ 220.05910 145.4
[M]- 220.06020 145.4
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.