CID 540019

Refchem:477647

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

CCOC(=O)C1(CCCC1=O)CC(=O)C

InChI

InChI=1S/C11H16O4/c1-3-15-10(14)11(7-8(2)12)6-4-5-9(11)13/h3-7H2,1-2H3

InChIKey

KULBPQHZKAFAQU-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-1-(2-oxopropyl)cyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 212.10486 Da
Monoisotopic Mass: 0.4
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]+	213.11214	146.3
[M+Na]+	235.09408	152.9
[M-H]-	211.09758	149.6
[M+NH4]+	230.13868	168.6
[M+K]+	251.06802	152.4
[M+H-H2O]+	195.10212	142.2
[M+HCOO]-	257.10306	167.5
[M+CH3COO]-	271.11871	185.4
[M+Na-2H]-	233.07953	147.8
[M]+	212.10431	147.9
[M]-	212.10541	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe