CID 43123858

1-(2,4-dimethylphenyl)-1h,4h,5h,6h-cyclopenta[c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC1=CC(=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)O)C
InChI
InChI=1S/C15H16N2O2/c1-9-6-7-12(10(2)8-9)17-13-5-3-4-11(13)14(16-17)15(18)19/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKey
NPKVHGWVRWFRLY-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-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 159.1
[M+Na]+ 279.11042 171.0
[M+NH4]+ 274.15502 166.7
[M+K]+ 295.08436 169.0
[M-H]- 255.11392 160.9
[M+Na-2H]- 277.09587 163.5
[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.

Patent stripe

No patent data available for this compound.