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[d]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]+ 243.112806 154.7
[M+Na]+ 265.094748 163.6
[M-H]- 241.098254 159.2
[M+NH4]+ 260.139353 173.5
[M+K]+ 281.068688 159.6
[M+H-H2O]+ 225.102790 147.6
[M+HCOO]- 287.103731 174.5
[M+CH3COO]- 301.119381 167.0
[M+Na-2H]- 263.080196 155.5
[M]+ 242.10498142 154.7
[M]- 242.10607858 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.