CID 21928275

1198787-34-6

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CCC1(CCC(=O)NC1=O)N

InChI

InChI=1S/C7H12N2O2/c1-2-7(8)4-3-5(10)9-6(7)11/h2-4,8H2,1H3,(H,9,10,11)

InChIKey

JILPUMRNAYFAGK-UHFFFAOYSA-N

Compound name

3-amino-3-ethylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 156.08987 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]+	157.09715	133.1
[M+Na]+	179.07909	142.4
[M+NH4]+	174.12369	141.4
[M+K]+	195.05303	136.1
[M-H]-	155.08259	133.2
[M+Na-2H]-	177.06454	137.8
[M]+	156.08932	134.1
[M]-	156.09042	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe