CID 104560323

2,5,8,11-tetraoxatetradecan-14-amine

Structural Information

Molecular Formula

C₁₀H₂₃NO₄

SMILES

COCCOCCOCCOCCCN

InChI

InChI=1S/C10H23NO4/c1-12-5-6-14-9-10-15-8-7-13-4-2-3-11/h2-11H2,1H3

InChIKey

QMPRGGKWKDAMNZ-UHFFFAOYSA-N

Compound name

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.1627 Da
Monoisotopic Mass: -0.9
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]+	222.16998	151.9
[M+Na]+	244.15192	156.4
[M-H]-	220.15542	150.7
[M+NH4]+	239.19652	169.7
[M+K]+	260.12586	156.6
[M+H-H2O]+	204.15996	145.4
[M+HCOO]-	266.16090	175.7
[M+CH3COO]-	280.17655	191.4
[M+Na-2H]-	242.13737	156.1
[M]+	221.16215	158.7
[M]-	221.16325	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe