CID 54595389

3-ethoxyspiro[3.5]nonan-1-amine

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CCOC1CC(C12CCCCC2)N

InChI

InChI=1S/C11H21NO/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10H,2-8,12H2,1H3

InChIKey

OGVVHXLZVGXJML-UHFFFAOYSA-N

Compound name

3-ethoxyspiro[3.5]nonan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.16231 Da
Monoisotopic Mass: 2.0
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]+	184.169586	141.0
[M+Na]+	206.151528	144.5
[M-H]-	182.155034	145.4
[M+NH4]+	201.196133	156.2
[M+K]+	222.125468	145.9
[M+H-H2O]+	166.159570	130.7
[M+HCOO]-	228.160511	159.4
[M+CH3COO]-	242.176161	187.1
[M+Na-2H]-	204.136976	145.1
[M]+	183.16176142	144.3
[M]-	183.16285858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.