CID 78739

Methacrylylcholine

Structural Information

Molecular Formula

C₉H₁₈NO₂

SMILES

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

InChI

InChI=1S/C9H18NO2/c1-8(2)9(11)12-7-6-10(3,4)5/h1,6-7H2,2-5H3/q+1

InChIKey

USFMMZYROHDWPJ-UHFFFAOYSA-N

Compound name

trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 82
References: 33758
Patents: 172.13376 Da
Monoisotopic Mass: 1.2
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]+	173.141036	136.1
[M+Na]+	195.122978	142.4
[M-H]-	171.126484	138.2
[M+NH4]+	190.167583	157.1
[M+K]+	211.096918	137.7
[M+H-H2O]+	155.131020	134.5
[M+HCOO]-	217.131961	158.5
[M+CH3COO]-	231.147611	180.0
[M+Na-2H]-	193.108426	143.3
[M]+	172.13321142	137.5
[M]-	172.13430858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe