CID 61794301

3-(1-ethyl-1h-pyrazol-4-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CCN1C=C(C=N1)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C9H10N4O2/c1-2-13-5-6(3-11-13)8-7(9(14)15)4-10-12-8/h3-5H,2H2,1H3,(H,10,12)(H,14,15)
InChIKey
LFPMMVVXXHYSID-UHFFFAOYSA-N
Compound name
5-(1-ethylpyrazol-4-yl)-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 142.6
[M+Na]+ 229.06959 152.9
[M-H]- 205.07309 143.0
[M+NH4]+ 224.11419 158.4
[M+K]+ 245.04353 149.5
[M+H-H2O]+ 189.07763 134.2
[M+HCOO]- 251.07857 162.9
[M+CH3COO]- 265.09422 179.6
[M+Na-2H]- 227.05504 145.2
[M]+ 206.07982 143.6
[M]- 206.08092 143.6
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.