CID 75480716

3,8-dioxa-11-azaspiro[5.6]dodecane

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1COCCC12CNCCOC2

InChI

InChI=1S/C9H17NO2/c1-4-11-5-2-9(1)7-10-3-6-12-8-9/h10H,1-8H2

InChIKey

JMCANWXKEVZZPJ-UHFFFAOYSA-N

Compound name

3,8-dioxa-11-azaspiro[5.6]dodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.12593 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]+	172.13321	141.1
[M+Na]+	194.11515	149.2
[M+NH4]+	189.15975	150.0
[M+K]+	210.08909	144.0
[M-H]-	170.11865	145.2
[M+Na-2H]-	192.10060	146.2
[M]+	171.12538	143.4
[M]-	171.12648	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.