CID 6871

Diethyl ethoxymethylenemalonate

Structural Information

Molecular Formula

C₁₀H₁₆O₅

SMILES

CCOC=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3

InChIKey

LTMHNWPUDSTBKD-UHFFFAOYSA-N

Compound name

diethyl 2-(ethoxymethylidene)propanedioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 23
References: 7353
Patents: 216.09978 Da
Monoisotopic Mass: 1.5
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]+	217.10706	148.7
[M+Na]+	239.08900	156.3
[M+NH4]+	234.13360	153.4
[M+K]+	255.06294	153.2
[M-H]-	215.09250	145.2
[M+Na-2H]-	237.07445	149.1
[M]+	216.09923	148.2
[M]-	216.10033	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe