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 159.2
[M+Na]+ 279.11042 168.6
[M-H]- 255.11392 164.0
[M+NH4]+ 274.15502 177.8
[M+K]+ 295.08436 164.4
[M+H-H2O]+ 239.11846 152.3
[M+HCOO]- 301.11940 178.7
[M+CH3COO]- 315.13505 171.5
[M+Na-2H]- 277.09587 158.9
[M]+ 256.12065 160.0
[M]- 256.12175 160.0
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.