CID 22034852

Allyl cyclohexylacetate

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

C=CCOC(=O)CC1CCCCC1

InChI

InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2

InChIKey

UECFOOSFSUDPOR-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-cyclohexylacetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 479
Patents: 182.13068 Da
Monoisotopic Mass: 3.4
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]+	183.13796	143.6
[M+Na]+	205.11990	153.3
[M+NH4]+	200.16450	151.6
[M+K]+	221.09384	146.9
[M-H]-	181.12340	144.7
[M+Na-2H]-	203.10535	147.6
[M]+	182.13013	145.0
[M]-	182.13123	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe