CID 14324

3,3-pentamethylene glutarimide

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

C1CCC2(CC1)CC(=O)NC(=O)C2

InChI

InChI=1S/C10H15NO2/c12-8-6-10(7-9(13)11-8)4-2-1-3-5-10/h1-7H2,(H,11,12,13)

InChIKey

FNIPRNMPSXNBDI-UHFFFAOYSA-N

Compound name

3-azaspiro[5.5]undecane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 115
Patents: 181.11028 Da
Monoisotopic Mass: 1.6
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]+	182.11756	142.6
[M+Na]+	204.09950	152.7
[M+NH4]+	199.14410	152.2
[M+K]+	220.07344	144.8
[M-H]-	180.10300	144.3
[M+Na-2H]-	202.08495	148.2
[M]+	181.10973	144.3
[M]-	181.11083	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe