CID 84807

1-allylquinaldinium bromide

Structural Information

Molecular Formula
C13H14N
SMILES
CC1=[N+](C2=CC=CC=C2C=C1)CC=C
InChI
InChI=1S/C13H14N/c1-3-10-14-11(2)8-9-12-6-4-5-7-13(12)14/h3-9H,1,10H2,2H3/q+1
InChIKey
WAANCHAWBDOMDG-UHFFFAOYSA-N
Compound name
2-methyl-1-prop-2-enylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

184.11263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11991 140.9
[M+Na]+ 207.10185 150.2
[M-H]- 183.10535 144.6
[M+NH4]+ 202.14645 160.7
[M+K]+ 223.07579 140.4
[M+H-H2O]+ 167.10989 136.9
[M+HCOO]- 229.11083 162.6
[M+CH3COO]- 243.12648 178.3
[M+Na-2H]- 205.08730 151.0
[M]+ 184.11208 140.4
[M]- 184.11318 140.4
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