CID 372056

Nsc646916

Structural Information

Molecular Formula
C13H16NO
SMILES
CC[N+]1=CC=CC2=C1C(=CC=C2)OCC
InChI
InChI=1S/C13H16NO/c1-3-14-10-6-8-11-7-5-9-12(13(11)14)15-4-2/h5-10H,3-4H2,1-2H3/q+1
InChIKey
BUAJLYKVIDRLNS-UHFFFAOYSA-N
Compound name
8-ethoxy-1-ethylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

202.12318 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13046 146.0
[M+Na]+ 225.11240 154.9
[M-H]- 201.11590 149.7
[M+NH4]+ 220.15700 165.1
[M+K]+ 241.08634 146.2
[M+H-H2O]+ 185.12044 141.7
[M+HCOO]- 247.12138 167.7
[M+CH3COO]- 261.13703 181.2
[M+Na-2H]- 223.09785 156.1
[M]+ 202.12263 147.6
[M]- 202.12373 147.6
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.