CID 217310

Acetoxyethylmethylpiperidinium iodide

Structural Information

Molecular Formula

C₁₀H₂₀NO₂

SMILES

CC(=O)OCC[N+]1(CCCCC1)C

InChI

InChI=1S/C10H20NO2/c1-10(12)13-9-8-11(2)6-4-3-5-7-11/h3-9H2,1-2H3/q+1

InChIKey

PSVXIOPYYVKJLO-UHFFFAOYSA-N

Compound name

2-(1-methylpiperidin-1-ium-1-yl)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 186.1494 Da
Monoisotopic Mass: 1.0
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]+	187.15668	142.2
[M+Na]+	209.13862	147.0
[M-H]-	185.14212	143.8
[M+NH4]+	204.18322	162.4
[M+K]+	225.11256	141.1
[M+H-H2O]+	169.14666	139.2
[M+HCOO]-	231.14760	160.1
[M+CH3COO]-	245.16325	174.2
[M+Na-2H]-	207.12407	149.2
[M]+	186.14885	138.8
[M]-	186.14995	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe