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
2
Annotation Hits

0
References

3
Patents

234.12828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.135556 156.4
[M+Na]+ 257.117498 164.8
[M-H]- 233.121004 162.9
[M+NH4]+ 252.162103 173.5
[M+K]+ 273.091438 153.8
[M+H-H2O]+ 217.125540 150.4
[M+HCOO]- 279.126481 177.8
[M+CH3COO]- 293.142131 187.3
[M+Na-2H]- 255.102946 166.4
[M]+ 234.12773142 155.2
[M]- 234.12882858 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