CID 78718

Dimethyl methoxymalonate

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

COC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C6H10O5/c1-9-4(5(7)10-2)6(8)11-3/h4H,1-3H3

InChIKey

ORXJMBXYSGGCHG-UHFFFAOYSA-N

Compound name

dimethyl 2-methoxypropanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 804
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	137.6
[M-H]-	161.045554	131.0
[M+NH4]+	180.086653	151.0
[M+K]+	201.015988	140.0
[M+H-H2O]+	145.050090	125.6
[M+HCOO]-	207.051031	152.9
[M+CH3COO]-	221.066681	176.6
[M+Na-2H]-	183.027496	134.0
[M]+	162.05228142	135.5
[M]-	162.05337858	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe