CID 21149847

94278-39-4

Structural Information

Molecular Formula

C₁₃H₂₂O₂

SMILES

CCC(CC)COC(=O)CC1CCC=C1

InChI

InChI=1S/C13H22O2/c1-3-11(4-2)10-15-13(14)9-12-7-5-6-8-12/h5,7,11-12H,3-4,6,8-10H2,1-2H3

InChIKey

KCCAJFPBAQGCQC-UHFFFAOYSA-N

Compound name

2-ethylbutyl 2-cyclopent-2-en-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 210.16199 Da
Monoisotopic Mass: 3.6
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]+	211.16927	153.9
[M+Na]+	233.15121	158.3
[M-H]-	209.15471	156.5
[M+NH4]+	228.19581	174.3
[M+K]+	249.12515	157.1
[M+H-H2O]+	193.15925	147.9
[M+HCOO]-	255.16019	175.0
[M+CH3COO]-	269.17584	188.0
[M+Na-2H]-	231.13666	154.1
[M]+	210.16144	155.3
[M]-	210.16254	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe