CID 62494474

2-(3-cyclopropyl-1h-pyrazol-1-yl)benzoic acid

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1CC1C2=NN(C=C2)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C13H12N2O2/c16-13(17)10-3-1-2-4-12(10)15-8-7-11(14-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17)
InChIKey
FDGXCDUHVFBYAE-UHFFFAOYSA-N
Compound name
2-(3-cyclopropylpyrazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

2.0
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.

Literature stripe

No literature data available for this compound.

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No patent data available for this compound.