CID 155937654

2243515-58-2

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CC2(C1)COCC(O2)CN

InChI

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

InChIKey

VOUFPXXKTUTDQD-UHFFFAOYSA-N

Compound name

5,8-dioxaspiro[3.5]nonan-6-ylmethanamine

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]+	158.11756	134.1
[M+Na]+	180.09950	139.5
[M+NH4]+	175.14410	140.3
[M+K]+	196.07344	135.1
[M-H]-	156.10300	136.7
[M+Na-2H]-	178.08495	137.1
[M]+	157.10973	134.4
[M]-	157.11083	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.