CID 129333

N-allylmethyprylon

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CCC1(C(=O)C(CN(C1=O)CC=C)C)CC

InChI

InChI=1S/C13H21NO2/c1-5-8-14-9-10(4)11(15)13(6-2,7-3)12(14)16/h5,10H,1,6-9H2,2-4H3

InChIKey

SHTUEFWBMJJSIC-UHFFFAOYSA-N

Compound name

3,3-diethyl-5-methyl-1-prop-2-enylpiperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.15723 Da
Monoisotopic Mass: 2.2
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]+	224.164506	148.8
[M+Na]+	246.146448	157.0
[M-H]-	222.149954	151.1
[M+NH4]+	241.191053	168.7
[M+K]+	262.120388	154.4
[M+H-H2O]+	206.154490	143.7
[M+HCOO]-	268.155431	167.5
[M+CH3COO]-	282.171081	192.9
[M+Na-2H]-	244.131896	150.9
[M]+	223.15668142	149.2
[M]-	223.15777858	149.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.