CID 79905069

2060000-35-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

C1COC2(CCOCC2)CC1CN

InChI

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

InChIKey

XANWWWVLZHMFPG-UHFFFAOYSA-N

Compound name

1,9-dioxaspiro[5.5]undecan-4-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.14159 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]+	186.14887	143.7
[M+Na]+	208.13081	153.3
[M+NH4]+	203.17541	154.1
[M+K]+	224.10475	146.0
[M-H]-	184.13431	149.9
[M+Na-2H]-	206.11626	149.1
[M]+	185.14104	146.8
[M]-	185.14214	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.