CID 111593

1-benzyl-2-methylquinolinium chloride

Structural Information

Molecular Formula
C17H16N
SMILES
CC1=[N+](C2=CC=CC=C2C=C1)CC3=CC=CC=C3
InChI
InChI=1S/C17H16N/c1-14-11-12-16-9-5-6-10-17(16)18(14)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3/q+1
InChIKey
VZIKVWOCKIUOMP-UHFFFAOYSA-N
Compound name
1-benzyl-2-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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 156.4
[M+Na]+ 257.11750 164.8
[M-H]- 233.12100 162.9
[M+NH4]+ 252.16210 173.5
[M+K]+ 273.09144 153.8
[M+H-H2O]+ 217.12554 150.4
[M+HCOO]- 279.12648 177.8
[M+CH3COO]- 293.14213 187.3
[M+Na-2H]- 255.10295 166.4
[M]+ 234.12773 155.2
[M]- 234.12883 155.2
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