CID 53493142

2-azaspiro[4.4]nonane-1,7-dione

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1CC2(CCNC2=O)CC1=O

InChI

InChI=1S/C8H11NO2/c10-6-1-2-8(5-6)3-4-9-7(8)11/h1-5H2,(H,9,11)

InChIKey

MNQURZMLONVAHN-UHFFFAOYSA-N

Compound name

2-azaspiro[4.4]nonane-1,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.07898 Da
Monoisotopic Mass: -0.7
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]+	154.08626	134.6
[M+Na]+	176.06820	142.8
[M+NH4]+	171.11280	143.9
[M+K]+	192.04214	139.6
[M-H]-	152.07170	134.8
[M+Na-2H]-	174.05365	138.7
[M]+	153.07843	135.5
[M]-	153.07953	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe