CID 17039612

6-ethyl-2-methylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C13H13NO2
SMILES
CCC1=CC2=CC(=C(N=C2C=C1)C)C(=O)O
InChI
InChI=1S/C13H13NO2/c1-3-9-4-5-12-10(6-9)7-11(13(15)16)8(2)14-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKey
WZUBVPVDDWQDFN-UHFFFAOYSA-N
Compound name
6-ethyl-2-methylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.9
[M+Na]+ 238.08386 161.2
[M+NH4]+ 233.12846 155.1
[M+K]+ 254.05780 154.5
[M-H]- 214.08736 148.7
[M+Na-2H]- 236.06931 153.1
[M]+ 215.09409 149.4
[M]- 215.09519 149.4
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.