CID 99520

Diethyl 2-(1-ethoxyethylidene)malonate

Structural Information

Molecular Formula

C₁₁H₁₈O₅

SMILES

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

InChI

InChI=1S/C11H18O5/c1-5-14-8(4)9(10(12)15-6-2)11(13)16-7-3/h5-7H2,1-4H3

InChIKey

TWYCKMOLLPVQMA-UHFFFAOYSA-N

Compound name

diethyl 2-(1-ethoxyethylidene)propanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 121
Patents: 230.11542 Da
Monoisotopic Mass: 1.9
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]+	231.12270	152.8
[M+Na]+	253.10464	159.8
[M+NH4]+	248.14924	157.1
[M+K]+	269.07858	157.4
[M-H]-	229.10814	148.9
[M+Na-2H]-	251.09009	152.5
[M]+	230.11487	152.1
[M]-	230.11597	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe