CID 111025

7686-78-4

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

CCOC(=O)C1(CC1C=C)C(=O)OCC

InChI

InChI=1S/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3

InChIKey

UOQTXZICFVMERR-UHFFFAOYSA-N

Compound name

diethyl 2-ethenylcyclopropane-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 212.10486 Da
Monoisotopic Mass: 1.8
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]+	213.11214	149.3
[M+Na]+	235.09408	159.8
[M+NH4]+	230.13868	157.2
[M+K]+	251.06802	155.3
[M-H]-	211.09758	155.2
[M+Na-2H]-	233.07953	155.6
[M]+	212.10431	153.4
[M]-	212.10541	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe