CID 96203

53608-93-8

Structural Information

Molecular Formula

C₁₂H₁₈O₄

SMILES

CCOC(=O)C(C1CCC=C1)C(=O)OCC

InChI

InChI=1S/C12H18O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h5,7,9-10H,3-4,6,8H2,1-2H3

InChIKey

UAZCLBJEBNSEDV-UHFFFAOYSA-N

Compound name

diethyl 2-cyclopent-2-en-1-ylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 226.12051 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]+	227.12779	153.1
[M+Na]+	249.10973	160.6
[M+NH4]+	244.15433	159.2
[M+K]+	265.08367	158.6
[M-H]-	225.11323	152.0
[M+Na-2H]-	247.09518	155.0
[M]+	226.11996	153.3
[M]-	226.12106	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe