CID 854375

2-propylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C13H13NO2
SMILES
CCCC1=NC2=CC=CC=C2C(=C1)C(=O)O
InChI
InChI=1S/C13H13NO2/c1-2-5-9-8-11(13(15)16)10-6-3-4-7-12(10)14-9/h3-4,6-8H,2,5H2,1H3,(H,15,16)
InChIKey
GHWNIFKWPIVEPC-UHFFFAOYSA-N
Compound name
2-propylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
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 146.6
[M+Na]+ 238.08386 155.1
[M-H]- 214.08736 148.7
[M+NH4]+ 233.12846 164.5
[M+K]+ 254.05780 151.4
[M+H-H2O]+ 198.09190 139.8
[M+HCOO]- 260.09284 166.6
[M+CH3COO]- 274.10849 187.2
[M+Na-2H]- 236.06931 152.9
[M]+ 215.09409 147.7
[M]- 215.09519 147.7
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