CID 199477

4238-76-0

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCC1(CCC(=O)NC1=O)C2=CC=CC=C2N

InChI

InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-5-3-4-6-10(9)14/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)

InChIKey

UVBMFLQXZPETMM-UHFFFAOYSA-N

Compound name

3-(2-aminophenyl)-3-ethylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 232.12119 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]+	233.128466	152.8
[M+Na]+	255.110408	159.8
[M-H]-	231.113914	156.3
[M+NH4]+	250.155013	170.1
[M+K]+	271.084348	155.6
[M+H-H2O]+	215.118450	145.8
[M+HCOO]-	277.119391	171.6
[M+CH3COO]-	291.135041	190.0
[M+Na-2H]-	253.095856	156.4
[M]+	232.12064142	147.2
[M]-	232.12173858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe