CID 121552811

2-methyl-2-{1,4,7-trioxaspiro[4.4]nonan-9-yl}propan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(CN)C1COCC12OCCO2

InChI

InChI=1S/C10H19NO3/c1-9(2,6-11)8-5-12-7-10(8)13-3-4-14-10/h8H,3-7,11H2,1-2H3

InChIKey

UWHYSKFCPWYJPJ-UHFFFAOYSA-N

Compound name

2-methyl-2-(1,4,7-trioxaspiro[4.4]nonan-9-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.13649 Da
Monoisotopic Mass: -0.2
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]+	202.143766	144.3
[M+Na]+	224.125708	149.4
[M-H]-	200.129214	150.6
[M+NH4]+	219.170313	164.4
[M+K]+	240.099648	151.8
[M+H-H2O]+	184.133750	141.1
[M+HCOO]-	246.134691	162.1
[M+CH3COO]-	260.150341	182.9
[M+Na-2H]-	222.111156	150.7
[M]+	201.13594142	142.8
[M]-	201.13703858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.