CID 132327925

2307776-78-7

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CC(C)(C)O[C@@H]1C[C@H](C12CCOCC2)N

InChI

InChI=1S/C12H23NO2/c1-11(2,3)15-10-8-9(13)12(10)4-6-14-7-5-12/h9-10H,4-8,13H2,1-3H3/t9-,10-/m1/s1

InChIKey

HFWPJTIRIQFVTJ-NXEZZACHSA-N

Compound name

(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.17288 Da
Monoisotopic Mass: 0.8
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]+	214.180156	147.5
[M+Na]+	236.162098	150.9
[M-H]-	212.165604	152.6
[M+NH4]+	231.206703	160.4
[M+K]+	252.136038	154.1
[M+H-H2O]+	196.170140	137.6
[M+HCOO]-	258.171081	163.4
[M+CH3COO]-	272.186731	191.8
[M+Na-2H]-	234.147546	153.0
[M]+	213.17233142	152.7
[M]-	213.17342858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.