CID 3054536

8-hydroxy-1-methylquinolinium iodide ethylcarbamate

Structural Information

Molecular Formula

C₁₃H₁₅N₂O₂

SMILES

CCNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C

InChI

InChI=1S/C13H14N2O2/c1-3-14-13(16)17-11-8-4-6-10-7-5-9-15(2)12(10)11/h4-9H,3H2,1-2H3/p+1

InChIKey

POXZCBHDPYYSGG-UHFFFAOYSA-O

Compound name

(1-methylquinolin-1-ium-8-yl) N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.11336 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.120636	151.8
[M+Na]+	254.102578	159.7
[M-H]-	230.106084	155.5
[M+NH4]+	249.147183	169.2
[M+K]+	270.076518	151.4
[M+H-H2O]+	214.110620	147.1
[M+HCOO]-	276.111561	173.9
[M+CH3COO]-	290.127211	186.3
[M+Na-2H]-	252.088026	161.2
[M]+	231.11281142	152.5
[M]-	231.11390858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.