CID 8078880

5-ethyl-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)O
InChI
InChI=1S/C13H14N2O2/c1-3-12-11(13(16)17)8-14-15(12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,16,17)
InChIKey
KQONHMSVIICDKY-UHFFFAOYSA-N
Compound name
5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 152.4
[M+Na]+ 253.09475 165.3
[M+NH4]+ 248.13935 159.3
[M+K]+ 269.06869 161.4
[M-H]- 229.09825 154.0
[M+Na-2H]- 251.08020 158.8
[M]+ 230.10498 154.5
[M]- 230.10608 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.