CID 461365

8-propoxy-1-propyl-quinolin-1-ium

Structural Information

Molecular Formula
C15H20NO
SMILES
CCC[N+]1=CC=CC2=C1C(=CC=C2)OCCC
InChI
InChI=1S/C15H20NO/c1-3-10-16-11-6-8-13-7-5-9-14(15(13)16)17-12-4-2/h5-9,11H,3-4,10,12H2,1-2H3/q+1
InChIKey
YKFNGTLWTQATQL-UHFFFAOYSA-N
Compound name
8-propoxy-1-propylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.1545 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.16178 155.7
[M+Na]+ 253.14372 163.6
[M-H]- 229.14722 158.9
[M+NH4]+ 248.18832 173.6
[M+K]+ 269.11766 154.5
[M+H-H2O]+ 213.15176 150.9
[M+HCOO]- 275.15270 176.7
[M+CH3COO]- 289.16835 187.3
[M+Na-2H]- 251.12917 164.6
[M]+ 230.15395 157.9
[M]- 230.15505 157.9
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.