CID 43363492

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

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=CC=CC=C1N2C3=C(CCC3)C(=N2)C(=O)O
InChI
InChI=1S/C14H14N2O2/c1-9-5-2-3-7-11(9)16-12-8-4-6-10(12)13(15-16)14(17)18/h2-3,5,7H,4,6,8H2,1H3,(H,17,18)
InChIKey
BSUHAOPZKGYUIR-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.7
[M+Na]+ 265.09475 166.5
[M+NH4]+ 260.13935 162.4
[M+K]+ 281.06869 164.4
[M-H]- 241.09825 156.5
[M+Na-2H]- 263.08020 159.6
[M]+ 242.10498 156.6
[M]- 242.10608 156.6
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.