CID 16772554

1-(4-ethylphenyl)-1h,4h,5h,6h-cyclopenta[c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CCC1=CC=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)O
InChI
InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)17-13-5-3-4-12(13)14(16-17)15(18)19/h6-9H,2-5H2,1H3,(H,18,19)
InChIKey
KLAZVKFCHQJCHS-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 159.2
[M+Na]+ 279.11042 170.7
[M+NH4]+ 274.15502 166.7
[M+K]+ 295.08436 168.5
[M-H]- 255.11392 160.9
[M+Na-2H]- 277.09587 163.9
[M]+ 256.12065 161.1
[M]- 256.12175 161.1
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.