CID 82406

6-methyl-2,5,7,10-tetraoxaundecane

Structural Information

Molecular Formula

C₈H₁₈O₄

SMILES

CC(OCCOC)OCCOC

InChI

InChI=1S/C8H18O4/c1-8(11-6-4-9-2)12-7-5-10-3/h8H,4-7H2,1-3H3

InChIKey

QAFHKXJNUMPEMF-UHFFFAOYSA-N

Compound name

1,1-bis(2-methoxyethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 178.12051 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]+	179.127786	140.0
[M+Na]+	201.109728	146.1
[M-H]-	177.113234	139.9
[M+NH4]+	196.154333	160.3
[M+K]+	217.083668	147.8
[M+H-H2O]+	161.117770	134.7
[M+HCOO]-	223.118711	163.2
[M+CH3COO]-	237.134361	182.0
[M+Na-2H]-	199.095176	144.9
[M]+	178.11996142	147.3
[M]-	178.12105858	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe