CID 201877

Dimethyl diglycolate

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

COC(=O)COCC(=O)OC

InChI

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

InChIKey

KUCRTUQUAYLJDC-UHFFFAOYSA-N

Compound name

methyl 2-(2-methoxy-2-oxoethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 219
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]+	163.06011	130.4
[M+Na]+	185.04205	137.8
[M-H]-	161.04555	130.9
[M+NH4]+	180.08665	151.2
[M+K]+	201.01599	139.8
[M+H-H2O]+	145.05009	125.6
[M+HCOO]-	207.05103	153.9
[M+CH3COO]-	221.06668	175.7
[M+Na-2H]-	183.02750	135.2
[M]+	162.05228	136.2
[M]-	162.05338	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe