CID 129919532

{8-methyl-1,4-dioxaspiro[4.5]decan-8-yl}methanamine

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC1(CCC2(CC1)OCCO2)CN

InChI

InChI=1S/C10H19NO2/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h2-8,11H2,1H3

InChIKey

JCUOSWDXFWDDBS-UHFFFAOYSA-N

Compound name

(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	140.9
[M+Na]+	208.130808	145.8
[M-H]-	184.134314	146.5
[M+NH4]+	203.175413	163.1
[M+K]+	224.104748	146.6
[M+H-H2O]+	168.138850	136.2
[M+HCOO]-	230.139791	158.9
[M+CH3COO]-	244.155441	179.7
[M+Na-2H]-	206.116256	147.6
[M]+	185.14104142	136.0
[M]-	185.14213858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe