CID 12362

628-90-0

Structural Information

Molecular Formula

C₄H₁₀O₃

SMILES

COCOCOC

InChI

InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3

InChIKey

NSPJNIDYTSSIIY-UHFFFAOYSA-N

Compound name

methoxy(methoxymethoxy)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 16315
Patents: 106.062996 Da
Monoisotopic Mass: 0.0
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]+	107.07027	118.1
[M+Na]+	129.05221	126.1
[M-H]-	105.05572	118.7
[M+NH4]+	124.09682	141.3
[M+K]+	145.02615	127.9
[M+H-H2O]+	89.060256	113.7
[M+HCOO]-	151.06120	143.3
[M+CH3COO]-	165.07685	167.1
[M+Na-2H]-	127.03766	126.4
[M]+	106.06245	123.0
[M]-	106.06354	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe