CID 77701

Methanol, oxybis-, diacetate

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

CC(=O)OCOCOC(=O)C

InChI

InChI=1S/C6H10O5/c1-5(7)10-3-9-4-11-6(2)8/h3-4H2,1-2H3

InChIKey

FCOKLAMVAHWFCI-UHFFFAOYSA-N

Compound name

acetyloxymethoxymethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 162.05283 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]+	163.060106	130.4
[M+Na]+	185.042048	137.8
[M-H]-	161.045554	130.9
[M+NH4]+	180.086653	151.2
[M+K]+	201.015988	139.8
[M+H-H2O]+	145.050090	125.6
[M+HCOO]-	207.051031	153.9
[M+CH3COO]-	221.066681	175.7
[M+Na-2H]-	183.027496	135.2
[M]+	162.05228142	136.2
[M]-	162.05337858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe