CID 65122347

1,9-dioxa-4-azaspiro[5.5]undecane

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1COCCC12CNCCO2

InChI

InChI=1S/C8H15NO2/c1-4-10-5-2-8(1)7-9-3-6-11-8/h9H,1-7H2

InChIKey

NUVBZLOENHPIPQ-UHFFFAOYSA-N

Compound name

1,9-dioxa-4-azaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 157.11028 Da
Monoisotopic Mass: -0.4
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]+	158.11756	134.0
[M+Na]+	180.09950	137.3
[M-H]-	156.10300	136.7
[M+NH4]+	175.14410	151.6
[M+K]+	196.07344	138.2
[M+H-H2O]+	140.10754	127.2
[M+HCOO]-	202.10848	147.4
[M+CH3COO]-	216.12413	145.1
[M+Na-2H]-	178.08495	142.6
[M]+	157.10973	125.8
[M]-	157.11083	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe