CID 10877336

15848-49-4

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CCOC(=O)CC1CCC=C1

InChI

InChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3

InChIKey

UEPHOITVJAVVRX-UHFFFAOYSA-N

Compound name

ethyl 2-cyclopent-2-en-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 45
Patents: 154.09938 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]+	155.10666	134.6
[M+Na]+	177.08860	141.0
[M-H]-	153.09210	137.8
[M+NH4]+	172.13320	157.3
[M+K]+	193.06254	140.4
[M+H-H2O]+	137.09664	129.3
[M+HCOO]-	199.09758	158.1
[M+CH3COO]-	213.11323	175.1
[M+Na-2H]-	175.07405	138.2
[M]+	154.09883	135.2
[M]-	154.09993	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe