CID 249269

Diethyl cyclopentylmalonate

Structural Information

Molecular Formula

C₁₂H₂₀O₄

SMILES

CCOC(=O)C(C1CCCC1)C(=O)OCC

InChI

InChI=1S/C12H20O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h9-10H,3-8H2,1-2H3

InChIKey

WXPOKLNJWFXXQO-UHFFFAOYSA-N

Compound name

diethyl 2-cyclopentylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 228.13615 Da
Monoisotopic Mass: 3.1
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]+	229.14343	154.6
[M+Na]+	251.12537	161.2
[M+NH4]+	246.16997	160.6
[M+K]+	267.09931	159.4
[M-H]-	227.12887	153.3
[M+Na-2H]-	249.11082	155.6
[M]+	228.13560	154.6
[M]-	228.13670	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe