CID 81860

2,5,8,11-tetraoxatridecane

Structural Information

Molecular Formula

C₉H₂₀O₄

SMILES

CCOCCOCCOCCOC

InChI

InChI=1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3

InChIKey

JRRDISHSXWGFRF-UHFFFAOYSA-N

Compound name

1-[2-(2-ethoxyethoxy)ethoxy]-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4726
Patents: 192.13615 Da
Monoisotopic Mass: -0.1
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]+	193.143426	144.0
[M+Na]+	215.125368	149.8
[M-H]-	191.128874	143.6
[M+NH4]+	210.169973	163.7
[M+K]+	231.099308	150.8
[M+H-H2O]+	175.133410	138.3
[M+HCOO]-	237.134351	167.8
[M+CH3COO]-	251.150001	184.2
[M+Na-2H]-	213.110816	149.6
[M]+	192.13560142	152.3
[M]-	192.13669858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe