CID 22975586

1171417-47-2

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CC(=O)NC2(C1)CCNCC2

InChI

InChI=1S/C9H16N2O/c12-8-2-1-3-9(11-8)4-6-10-7-5-9/h10H,1-7H2,(H,11,12)

InChIKey

ROVQEFKRZNILIZ-UHFFFAOYSA-N

Compound name

1,9-diazaspiro[5.5]undecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 168.12627 Da
Monoisotopic Mass: -0.1
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]+	169.13355	141.3
[M+Na]+	191.11549	150.8
[M+NH4]+	186.16009	150.6
[M+K]+	207.08943	143.0
[M-H]-	167.11899	142.3
[M+Na-2H]-	189.10094	146.7
[M]+	168.12572	142.7
[M]-	168.12682	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe