CID 21846412

Ethyl 3-cyclobutyl-3-oxopropanoate

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(=O)CC(=O)C1CCC1

InChI

InChI=1S/C9H14O3/c1-2-12-9(11)6-8(10)7-4-3-5-7/h7H,2-6H2,1H3

InChIKey

HYHZQZSNOAJEPU-UHFFFAOYSA-N

Compound name

ethyl 3-cyclobutyl-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 170.0943 Da
Monoisotopic Mass: 1.2
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]+	171.10158	139.4
[M+Na]+	193.08352	143.9
[M+NH4]+	188.12812	142.4
[M+K]+	209.05746	141.5
[M-H]-	169.08702	136.3
[M+Na-2H]-	191.06897	140.0
[M]+	170.09375	137.6
[M]-	170.09485	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe