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

79
Patents

184.11263 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.119906 140.9
[M+Na]+ 207.101848 150.2
[M-H]- 183.105354 144.6
[M+NH4]+ 202.146453 160.7
[M+K]+ 223.075788 140.4
[M+H-H2O]+ 167.109890 136.9
[M+HCOO]- 229.110831 162.6
[M+CH3COO]- 243.126481 178.3
[M+Na-2H]- 205.087296 151.0
[M]+ 184.11208142 140.4
[M]- 184.11317858 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