CID 54596077

2,7-diazaspiro[4.5]decan-3-one

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1CC2(CC(=O)NC2)CNC1

InChI

InChI=1S/C8H14N2O/c11-7-4-8(6-10-7)2-1-3-9-5-8/h9H,1-6H2,(H,10,11)

InChIKey

BBJZOKHHRARXIG-UHFFFAOYSA-N

Compound name

2,9-diazaspiro[4.5]decan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 154.11061 Da
Monoisotopic Mass: -0.6
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]+	155.117886	136.1
[M+Na]+	177.099828	141.1
[M-H]-	153.103334	135.3
[M+NH4]+	172.144433	156.5
[M+K]+	193.073768	137.9
[M+H-H2O]+	137.107870	129.3
[M+HCOO]-	199.108811	150.7
[M+CH3COO]-	213.124461	146.8
[M+Na-2H]-	175.085276	140.1
[M]+	154.11006142	125.6
[M]-	154.11115858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe