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 163.6
[M-H]- 241.09825 159.2
[M+NH4]+ 260.13935 173.5
[M+K]+ 281.06869 159.6
[M+H-H2O]+ 225.10279 147.6
[M+HCOO]- 287.10373 174.5
[M+CH3COO]- 301.11938 167.0
[M+Na-2H]- 263.08020 155.5
[M]+ 242.10498 154.7
[M]- 242.10608 154.7
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.