CID 54136657

2,4,6,8-tetraoxanonane

Structural Information

Molecular Formula

C₅H₁₂O₄

SMILES

COCOCOCOC

InChI

InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3

InChIKey

NYENPQBYHWPGNG-UHFFFAOYSA-N

Compound name

methoxy(methoxymethoxymethoxy)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 136.07356 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]+	137.08084	125.3
[M+Na]+	159.06278	132.9
[M-H]-	135.06628	125.7
[M+NH4]+	154.10738	147.3
[M+K]+	175.03672	134.9
[M+H-H2O]+	119.07082	120.5
[M+HCOO]-	181.07176	150.5
[M+CH3COO]-	195.08741	172.2
[M+Na-2H]-	157.04823	133.1
[M]+	136.07301	132.2
[M]-	136.07411	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe