CID 2723663

Ethyl 2-(2-oxocyclopentyl)acetate

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(=O)CC1CCCC1=O

InChI

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

InChIKey

PJMKFKUFBDXYEC-UHFFFAOYSA-N

Compound name

ethyl 2-(2-oxocyclopentyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 328
Patents: 170.0943 Da
Monoisotopic Mass: 0.6
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]+	171.101576	137.1
[M+Na]+	193.083518	143.6
[M-H]-	169.087024	140.3
[M+NH4]+	188.128123	159.3
[M+K]+	209.057458	143.1
[M+H-H2O]+	153.091560	132.0
[M+HCOO]-	215.092501	159.5
[M+CH3COO]-	229.108151	177.7
[M+Na-2H]-	191.068966	139.2
[M]+	170.09375142	137.4
[M]-	170.09484858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe