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]+ 207.087646 142.6
[M+Na]+ 229.069588 152.9
[M-H]- 205.073094 143.0
[M+NH4]+ 224.114193 158.4
[M+K]+ 245.043528 149.5
[M+H-H2O]+ 189.077630 134.2
[M+HCOO]- 251.078571 162.9
[M+CH3COO]- 265.094221 179.6
[M+Na-2H]- 227.055036 145.2
[M]+ 206.07982142 143.6
[M]- 206.08091858 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.