CID 118345

4-methyl-1-propylquinolinium iodide

Structural Information

Molecular Formula
C13H16N
SMILES
CCC[N+]1=CC=C(C2=CC=CC=C21)C
InChI
InChI=1S/C13H16N/c1-3-9-14-10-8-11(2)12-6-4-5-7-13(12)14/h4-8,10H,3,9H2,1-2H3/q+1
InChIKey
IRAHFCHOTFZMRZ-UHFFFAOYSA-N
Compound name
4-methyl-1-propylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

186.12828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13556 142.2
[M+Na]+ 209.11750 151.2
[M-H]- 185.12100 145.9
[M+NH4]+ 204.16210 162.0
[M+K]+ 225.09144 142.0
[M+H-H2O]+ 169.12554 138.1
[M+HCOO]- 231.12648 163.8
[M+CH3COO]- 245.14213 179.3
[M+Na-2H]- 207.10295 152.3
[M]+ 186.12773 142.4
[M]- 186.12883 142.4
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

patents stripe