CID 82081324

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

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1CC1C2=CC(=NN2C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C13H12N2O2/c16-13(17)11-8-12(9-6-7-9)15(14-11)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)
InChIKey
PMZROFPNVPELQA-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 154.5
[M+Na]+ 251.07909 168.8
[M+NH4]+ 246.12369 162.5
[M+K]+ 267.05303 165.7
[M-H]- 227.08259 164.4
[M+Na-2H]- 249.06454 164.5
[M]+ 228.08932 160.3
[M]- 228.09042 160.3
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.