CID 75721

Ethanol, 2,2'-[methylenebis(oxy)]bis-

Structural Information

Molecular Formula

C₅H₁₂O₄

SMILES

C(COCOCCO)O

InChI

InChI=1S/C5H12O4/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2

InChIKey

YSPADHLUBJTJLN-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxymethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 204
Patents: 136.07356 Da
Monoisotopic Mass: -1.3
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]+	137.080836	126.9
[M+Na]+	159.062778	133.5
[M-H]-	135.066284	124.3
[M+NH4]+	154.107383	147.3
[M+K]+	175.036718	133.6
[M+H-H2O]+	119.070820	122.4
[M+HCOO]-	181.071761	148.9
[M+CH3COO]-	195.087411	166.8
[M+Na-2H]-	157.048226	133.5
[M]+	136.07301142	129.8
[M]-	136.07410858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe