CID 59817645

1033443-97-8

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

CCOC(=O)C(=O)CC(=O)C1CCCC1

InChI

InChI=1S/C11H16O4/c1-2-15-11(14)10(13)7-9(12)8-5-3-4-6-8/h8H,2-7H2,1H3

InChIKey

AOYNIBGVQSISLX-UHFFFAOYSA-N

Compound name

ethyl 4-cyclopentyl-2,4-dioxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 212.10486 Da
Monoisotopic Mass: 1.8
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	149.3
[M+Na]+	235.09408	153.7
[M-H]-	211.09758	151.9
[M+NH4]+	230.13868	169.1
[M+K]+	251.06802	153.5
[M+H-H2O]+	195.10212	143.6
[M+HCOO]-	257.10306	169.4
[M+CH3COO]-	271.11871	185.5
[M+Na-2H]-	233.07953	148.6
[M]+	212.10431	149.4
[M]-	212.10541	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe