CID 24271268

5-ethyl-1-phenyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CCC1=CC(=NN1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-2-9-8-11(12(15)16)13-14(9)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,15,16)
InChIKey
JXNJWWCPXGUPQR-UHFFFAOYSA-N
Compound name
5-ethyl-1-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 148.0
[M+Na]+ 239.07909 160.7
[M+NH4]+ 234.12369 155.0
[M+K]+ 255.05303 156.8
[M-H]- 215.08259 149.6
[M+Na-2H]- 237.06454 154.9
[M]+ 216.08932 150.1
[M]- 216.09042 150.1
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.