CID 146093156

2411279-28-0

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1COCCC12CC(CO2)N

InChI

InChI=1S/C8H15NO2/c9-7-5-8(11-6-7)1-3-10-4-2-8/h7H,1-6,9H2

InChIKey

OXRITFOOHSPBEB-UHFFFAOYSA-N

Compound name

1,8-dioxaspiro[4.5]decan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.11028 Da
Monoisotopic Mass: -0.4
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]+	158.117556	132.8
[M+Na]+	180.099498	137.6
[M-H]-	156.103004	138.3
[M+NH4]+	175.144103	154.1
[M+K]+	196.073438	138.6
[M+H-H2O]+	140.107540	127.7
[M+HCOO]-	202.108481	151.5
[M+CH3COO]-	216.124131	173.9
[M+Na-2H]-	178.084946	139.4
[M]+	157.10973142	126.7
[M]-	157.11082858	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.