CID 225922

1h,2h,3h-cyclopenta[b]quinoline-9-carboxylic acid

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)O
InChI
InChI=1S/C13H11NO2/c15-13(16)12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H,15,16)
InChIKey
YHLOYZLGFGTCEB-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

14
Patents

213.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 144.8
[M+Na]+ 236.068198 153.5
[M-H]- 212.071704 147.8
[M+NH4]+ 231.112803 165.4
[M+K]+ 252.042138 149.3
[M+H-H2O]+ 196.076240 138.5
[M+HCOO]- 258.077181 163.9
[M+CH3COO]- 272.092831 157.5
[M+Na-2H]- 234.053646 150.4
[M]+ 213.07843142 144.0
[M]- 213.07952858 144.0
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