CID 461367

Quinolinium, 1-pentyl-8-(pentyloxy)-, bromide

Structural Information

Molecular Formula
C19H28NO
SMILES
CCCCC[N+]1=CC=CC2=C1C(=CC=C2)OCCCCC
InChI
InChI=1S/C19H28NO/c1-3-5-7-14-20-15-10-12-17-11-9-13-18(19(17)20)21-16-8-6-4-2/h9-13,15H,3-8,14,16H2,1-2H3/q+1
InChIKey
FTYQYGTWHXIOFJ-UHFFFAOYSA-N
Compound name
8-pentoxy-1-pentylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.2171 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.22438 174.8
[M+Na]+ 309.20632 180.9
[M-H]- 285.20982 177.2
[M+NH4]+ 304.25092 190.3
[M+K]+ 325.18026 170.7
[M+H-H2O]+ 269.21436 169.1
[M+HCOO]- 331.21530 194.4
[M+CH3COO]- 345.23095 199.3
[M+Na-2H]- 307.19177 181.4
[M]+ 286.21655 178.4
[M]- 286.21765 178.4
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

No patent data available for this compound.