CID 110429

1,2-dimethyl-6-ethoxyquinolinium methyl sulfate

Structural Information

Molecular Formula
C13H16NO
SMILES
CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C)C
InChI
InChI=1S/C13H16NO/c1-4-15-12-7-8-13-11(9-12)6-5-10(2)14(13)3/h5-9H,4H2,1-3H3/q+1
InChIKey
AQAJPMSIUDRFLJ-UHFFFAOYSA-N
Compound name
6-ethoxy-1,2-dimethylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12318 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13046 145.5
[M+Na]+ 225.11240 155.3
[M-H]- 201.11590 149.6
[M+NH4]+ 220.15700 164.9
[M+K]+ 241.08634 146.7
[M+H-H2O]+ 185.12044 141.5
[M+HCOO]- 247.12138 167.3
[M+CH3COO]- 261.13703 182.3
[M+Na-2H]- 223.09785 154.9
[M]+ 202.12263 147.5
[M]- 202.12373 147.5
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