CID 10058234

124499-34-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

C1CC2(CCC1CCN)OCCO2

InChI

InChI=1S/C10H19NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-8,11H2

InChIKey

SSPKQTFXNGPRNV-UHFFFAOYSA-N

Compound name

2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 185.14159 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]+	186.148866	141.9
[M+Na]+	208.130808	145.9
[M-H]-	184.134314	147.1
[M+NH4]+	203.175413	162.1
[M+K]+	224.104748	146.4
[M+H-H2O]+	168.138850	136.5
[M+HCOO]-	230.139791	160.0
[M+CH3COO]-	244.155441	180.0
[M+Na-2H]-	206.116256	147.5
[M]+	185.14104142	136.6
[M]-	185.14213858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe