CID 62511

(ethylenedioxy)dimethanol

Structural Information

Molecular Formula

C₄H₁₀O₄

SMILES

C(COCO)OCO

InChI

InChI=1S/C4H10O4/c5-3-7-1-2-8-4-6/h5-6H,1-4H2

InChIKey

BXGYYDRIMBPOMN-UHFFFAOYSA-N

Compound name

2-(hydroxymethoxy)ethoxymethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 16778
Patents: 122.05791 Da
Monoisotopic Mass: -1.2
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]+	123.065186	122.3
[M+Na]+	145.047128	129.4
[M-H]-	121.050634	119.9
[M+NH4]+	140.091733	143.3
[M+K]+	161.021068	129.7
[M+H-H2O]+	105.055170	118.0
[M+HCOO]-	167.056111	144.7
[M+CH3COO]-	181.071761	163.8
[M+Na-2H]-	143.032576	129.4
[M]+	122.05736142	124.8
[M]-	122.05845858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe