CID 2145

Aminoglutethimide

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N

InChI

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

InChIKey

ROBVIMPUHSLWNV-UHFFFAOYSA-N

Compound name

3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1700
References: 109730
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]+	233.12847	152.8
[M+Na]+	255.11041	159.8
[M-H]-	231.11391	156.3
[M+NH4]+	250.15501	170.1
[M+K]+	271.08435	155.6
[M+H-H2O]+	215.11845	145.8
[M+HCOO]-	277.11939	171.6
[M+CH3COO]-	291.13504	190.0
[M+Na-2H]-	253.09586	156.4
[M]+	232.12064	147.2
[M]-	232.12174	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe