CID 78739

5039-78-1

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

2
Annotation Hits: 82
References: 29809
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]+	173.14104	137.7
[M+Na]+	195.12298	148.5
[M+NH4]+	190.16758	145.8
[M+K]+	211.09692	145.0
[M-H]-	171.12648	138.5
[M+Na-2H]-	193.10843	141.7
[M]+	172.13321	139.6
[M]-	172.13431	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe