CID 10953950

33537-18-7

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(=O)C(=O)C1CCCC1

InChI

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

InChIKey

WOJWUNMAGJRHCD-UHFFFAOYSA-N

Compound name

ethyl 2-cyclopentyl-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 170.0943 Da
Monoisotopic Mass: 1.9
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	138.9
[M+Na]+	193.08352	146.9
[M+NH4]+	188.12812	146.1
[M+K]+	209.05746	144.4
[M-H]-	169.08702	138.4
[M+Na-2H]-	191.06897	141.4
[M]+	170.09375	139.4
[M]-	170.09485	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe