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

literature stripe

Patent stripe

patents stripe