CID 247667

Ethyl cyclopentylacetate

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCOC(=O)CC1CCCC1

InChI

InChI=1S/C9H16O2/c1-2-11-9(10)7-8-5-3-4-6-8/h8H,2-7H2,1H3

InChIKey

DBSADESEDBCPFO-UHFFFAOYSA-N

Compound name

ethyl 2-cyclopentylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 156.11504 Da
Monoisotopic Mass: 2.6
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]+	157.12232	136.7
[M+Na]+	179.10426	142.0
[M-H]-	155.10776	139.5
[M+NH4]+	174.14886	159.2
[M+K]+	195.07820	141.6
[M+H-H2O]+	139.11230	131.3
[M+HCOO]-	201.11324	158.7
[M+CH3COO]-	215.12889	175.5
[M+Na-2H]-	177.08971	139.3
[M]+	156.11449	135.8
[M]-	156.11559	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe