CID 58531234

9-azaspiro[5.6]dodecane

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

C1CCC2(CC1)CCCNCC2

InChI

InChI=1S/C11H21N/c1-2-5-11(6-3-1)7-4-9-12-10-8-11/h12H,1-10H2

InChIKey

ZWAATVZJDIHKSZ-UHFFFAOYSA-N

Compound name

9-azaspiro[5.6]dodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 167.1674 Da
Monoisotopic Mass: 3.2
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]+	168.17468	139.9
[M+Na]+	190.15662	147.9
[M+NH4]+	185.20122	149.9
[M+K]+	206.13056	140.9
[M-H]-	166.16012	142.5
[M+Na-2H]-	188.14207	146.6
[M]+	167.16685	141.8
[M]-	167.16795	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe