CID 12621265

2,5,8-trioxa-11-azadodecane

Structural Information

Molecular Formula

C₈H₁₉NO₃

SMILES

CNCCOCCOCCOC

InChI

InChI=1S/C8H19NO3/c1-9-3-4-11-7-8-12-6-5-10-2/h9H,3-8H2,1-2H3

InChIKey

XOTTZADIXWMSNG-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 177.13649 Da
Monoisotopic Mass: -0.6
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]+	178.143766	140.3
[M+Na]+	200.125708	145.7
[M-H]-	176.129214	140.0
[M+NH4]+	195.170313	160.3
[M+K]+	216.099648	146.3
[M+H-H2O]+	160.133750	134.5
[M+HCOO]-	222.134691	165.2
[M+CH3COO]-	236.150341	184.0
[M+Na-2H]-	198.111156	146.6
[M]+	177.13594142	145.9
[M]-	177.13703858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe