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

7
Patents

201.07898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.9
[M+Na]+ 224.06820 150.9
[M-H]- 200.07170 144.2
[M+NH4]+ 219.11280 160.4
[M+K]+ 240.04214 147.4
[M+H-H2O]+ 184.07624 135.3
[M+HCOO]- 246.07718 162.2
[M+CH3COO]- 260.09283 184.2
[M+Na-2H]- 222.05365 148.8
[M]+ 201.07843 142.6
[M]- 201.07953 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