CID 17040061

8-ethylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
CCC1=CC=CC2=CC(=CN=C21)C(=O)O
InChI
InChI=1S/C12H11NO2/c1-2-8-4-3-5-9-6-10(12(14)15)7-13-11(8)9/h3-7H,2H2,1H3,(H,14,15)
InChIKey
RIMBRLWKVBSXGY-UHFFFAOYSA-N
Compound name
8-ethylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

201.07898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 141.9
[M+Na]+ 224.068198 150.9
[M-H]- 200.071704 144.2
[M+NH4]+ 219.112803 160.4
[M+K]+ 240.042138 147.4
[M+H-H2O]+ 184.076240 135.3
[M+HCOO]- 246.077181 162.2
[M+CH3COO]- 260.092831 184.2
[M+Na-2H]- 222.053646 148.8
[M]+ 201.07843142 142.6
[M]- 201.07952858 142.6
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