CID 79550

Ethyl cyclopentanecarboxylate

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCOC(=O)C1CCCC1

InChI

InChI=1S/C8H14O2/c1-2-10-8(9)7-5-3-4-6-7/h7H,2-6H2,1H3

InChIKey

UWSJCCUODNDXOT-UHFFFAOYSA-N

Compound name

ethyl cyclopentanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1533
Patents: 142.09938 Da
Monoisotopic Mass: 2.0
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]+	143.10666	132.0
[M+Na]+	165.08860	137.7
[M-H]-	141.09210	135.0
[M+NH4]+	160.13320	155.1
[M+K]+	181.06254	137.6
[M+H-H2O]+	125.09664	126.8
[M+HCOO]-	187.09758	154.3
[M+CH3COO]-	201.11323	172.5
[M+Na-2H]-	163.07405	135.2
[M]+	142.09883	130.8
[M]-	142.09993	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe