CID 104109

1-benzyl-4-methylquinolinium chloride

Structural Information

Molecular Formula
C17H16N
SMILES
CC1=CC=[N+](C2=CC=CC=C12)CC3=CC=CC=C3
InChI
InChI=1S/C17H16N/c1-14-11-12-18(13-15-7-3-2-4-8-15)17-10-6-5-9-16(14)17/h2-12H,13H2,1H3/q+1
InChIKey
JMFPWQSTTDXWOM-UHFFFAOYSA-N
Compound name
1-benzyl-4-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

234.12828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13556 151.9
[M+Na]+ 257.11750 172.0
[M+NH4]+ 252.16210 163.9
[M+K]+ 273.09144 162.1
[M-H]- 233.12100 160.3
[M+Na-2H]- 255.10295 164.7
[M]+ 234.12773 158.0
[M]- 234.12883 158.0
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