CID 459733

6-butoxy-1-ethylquinaldiniumiodide

Structural Information

Molecular Formula
C16H22NO
SMILES
CCCCOC1=CC2=C(C=C1)[N+](=C(C=C2)C)CC
InChI
InChI=1S/C16H22NO/c1-4-6-11-18-15-9-10-16-14(12-15)8-7-13(3)17(16)5-2/h7-10,12H,4-6,11H2,1-3H3/q+1
InChIKey
GQWZMGYATXKBKO-UHFFFAOYSA-N
Compound name
6-butoxy-1-ethyl-2-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.17014 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17742 160.1
[M+Na]+ 267.15936 168.5
[M-H]- 243.16286 163.5
[M+NH4]+ 262.20396 177.7
[M+K]+ 283.13330 159.1
[M+H-H2O]+ 227.16740 155.3
[M+HCOO]- 289.16834 180.7
[M+CH3COO]- 303.18399 191.4
[M+Na-2H]- 265.14481 167.7
[M]+ 244.16959 163.1
[M]- 244.17069 163.1
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.