CID 10987569

21622-00-4

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

CCOC(=O)C1(CC=CC1)C(=O)OCC

InChI

InChI=1S/C11H16O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h5-6H,3-4,7-8H2,1-2H3

InChIKey

AYKIAWRITOYVSR-UHFFFAOYSA-N

Compound name

diethyl cyclopent-3-ene-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 288
Patents: 212.10486 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]+	213.11214	148.9
[M+Na]+	235.09408	157.1
[M+NH4]+	230.13868	156.7
[M+K]+	251.06802	152.8
[M-H]-	211.09758	148.0
[M+Na-2H]-	233.07953	153.0
[M]+	212.10431	149.5
[M]-	212.10541	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe