CID 3075738

1,2,3,4-tetrahydro-1-(2-ethoxy-2-oxoethyl)-1-methylquinolinium iodide

Structural Information

Molecular Formula
C14H20NO2
SMILES
CCOC(=O)C[N+]1(CCCC2=CC=CC=C21)C
InChI
InChI=1S/C14H20NO2/c1-3-17-14(16)11-15(2)10-6-8-12-7-4-5-9-13(12)15/h4-5,7,9H,3,6,8,10-11H2,1-2H3/q+1
InChIKey
BMAPKEYSUYOVTH-UHFFFAOYSA-N
Compound name
ethyl 2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1494 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15668 153.9
[M+Na]+ 257.13862 160.2
[M-H]- 233.14212 156.7
[M+NH4]+ 252.18322 173.3
[M+K]+ 273.11256 152.1
[M+H-H2O]+ 217.14666 149.8
[M+HCOO]- 279.14760 171.7
[M+CH3COO]- 293.16325 184.3
[M+Na-2H]- 255.12407 162.0
[M]+ 234.14885 152.4
[M]- 234.14995 152.4
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.