CID 4383937

Diethyl 2-allyl-2-methylmalonate

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

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

InChI

InChI=1S/C11H18O4/c1-5-8-11(4,9(12)14-6-2)10(13)15-7-3/h5H,1,6-8H2,2-4H3

InChIKey

CWGGTBZQRNZEEF-UHFFFAOYSA-N

Compound name

diethyl 2-methyl-2-prop-2-enylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 214.12051 Da
Monoisotopic Mass: 2.4
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]+	215.12779	149.6
[M+Na]+	237.10973	157.5
[M+NH4]+	232.15433	154.6
[M+K]+	253.08367	154.1
[M-H]-	213.11323	146.2
[M+Na-2H]-	235.09518	150.5
[M]+	214.11996	149.3
[M]-	214.12106	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe