CID 3021700

Diethyl 1,2-cyclopentanedicarboxylate

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

CCOC(=O)C1CCCC1C(=O)OCC

InChI

InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3

InChIKey

YLRALQSVMCXBSD-UHFFFAOYSA-N

Compound name

diethyl cyclopentane-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 121
Patents: 214.12051 Da
Monoisotopic Mass: 1.7
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]+	215.127786	149.6
[M+Na]+	237.109728	155.0
[M-H]-	213.113234	152.5
[M+NH4]+	232.154333	169.9
[M+K]+	253.083668	155.0
[M+H-H2O]+	197.117770	144.1
[M+HCOO]-	259.118711	170.6
[M+CH3COO]-	273.134361	186.0
[M+Na-2H]-	235.095176	149.5
[M]+	214.11996142	151.4
[M]-	214.12105858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe