CID 275788

2-cyclopentylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1CCC(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C15H15NO2/c17-15(18)12-9-14(10-5-1-2-6-10)16-13-8-4-3-7-11(12)13/h3-4,7-10H,1-2,5-6H2,(H,17,18)
InChIKey
TXQMIIRQGZRBPZ-UHFFFAOYSA-N
Compound name
2-cyclopentylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

241.11028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 154.1
[M+Na]+ 264.09950 160.9
[M-H]- 240.10300 158.9
[M+NH4]+ 259.14410 172.1
[M+K]+ 280.07344 156.5
[M+H-H2O]+ 224.10754 146.8
[M+HCOO]- 286.10848 172.7
[M+CH3COO]- 300.12413 165.7
[M+Na-2H]- 262.08495 157.0
[M]+ 241.10973 151.2
[M]- 241.11083 151.2
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.