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
3
Annotation Hits

0
References

16
Patents

186.12828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.135556 142.2
[M+Na]+ 209.117498 151.2
[M-H]- 185.121004 145.9
[M+NH4]+ 204.162103 162.0
[M+K]+ 225.091438 142.0
[M+H-H2O]+ 169.125540 138.1
[M+HCOO]- 231.126481 163.8
[M+CH3COO]- 245.142131 179.3
[M+Na-2H]- 207.102946 152.3
[M]+ 186.12773142 142.4
[M]- 186.12882858 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