CID 136843

3,3-tetramethyleneglutarimide

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

C1CCC2(C1)CC(=O)NC(=O)C2

InChI

InChI=1S/C9H13NO2/c11-7-5-9(3-1-2-4-9)6-8(12)10-7/h1-6H2,(H,10,11,12)

InChIKey

YRTHJMQKDCXPAY-UHFFFAOYSA-N

Compound name

8-azaspiro[4.5]decane-7,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 913
Patents: 167.09464 Da
Monoisotopic Mass: 1.0
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]+	168.10192	138.5
[M+Na]+	190.08386	147.6
[M+NH4]+	185.12846	148.0
[M+K]+	206.05780	142.0
[M-H]-	166.08736	139.4
[M+Na-2H]-	188.06931	143.3
[M]+	167.09409	139.8
[M]-	167.09519	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe