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 158.0
[M+Na]+ 282.13387 173.3
[M+NH4]+ 277.17847 167.0
[M+K]+ 298.10781 166.8
[M-H]- 258.13737 162.4
[M+Na-2H]- 280.11932 165.1
[M]+ 259.14410 161.8
[M]- 259.14520 161.8
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.