CID 3054531

8-hydroxy-1-methylquinaldinium iodide propylcarbamate

Structural Information

Molecular Formula
C15H19N2O2
SMILES
CCCNC(=O)OC1=CC=CC2=C1[N+](=C(C=C2)C)C
InChI
InChI=1S/C15H18N2O2/c1-4-10-16-15(18)19-13-7-5-6-12-9-8-11(2)17(3)14(12)13/h5-9H,4,10H2,1-3H3/p+1
InChIKey
MPKDJNLVSRQDDZ-UHFFFAOYSA-O
Compound name
(1,2-dimethylquinolin-1-ium-8-yl) N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14465 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15193 161.2
[M+Na]+ 282.13387 169.2
[M-H]- 258.13737 164.9
[M+NH4]+ 277.17847 177.8
[M+K]+ 298.10781 160.4
[M+H-H2O]+ 242.14191 156.3
[M+HCOO]- 304.14285 182.6
[M+CH3COO]- 318.15850 193.5
[M+Na-2H]- 280.11932 168.8
[M]+ 259.14410 163.0
[M]- 259.14520 163.0
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.