CID 118347

1-butyl-4-methylquinolinium iodide

Structural Information

Molecular Formula
C14H18N
SMILES
CCCC[N+]1=CC=C(C2=CC=CC=C21)C
InChI
InChI=1S/C14H18N/c1-3-4-10-15-11-9-12(2)13-7-5-6-8-14(13)15/h5-9,11H,3-4,10H2,1-2H3/q+1
InChIKey
XLUPKCSSOSULSX-UHFFFAOYSA-N
Compound name
1-butyl-4-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

200.14392 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.15120 147.0
[M+Na]+ 223.13314 155.6
[M-H]- 199.13664 150.5
[M+NH4]+ 218.17774 166.3
[M+K]+ 239.10708 146.2
[M+H-H2O]+ 183.14118 142.7
[M+HCOO]- 245.14212 168.2
[M+CH3COO]- 259.15777 182.3
[M+Na-2H]- 221.11859 156.5
[M]+ 200.14337 147.6
[M]- 200.14447 147.6
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