CID 106455

68039-68-9

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC=CC(=O)OC=CC1CCCCC1

InChI

InChI=1S/C12H18O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h2,6,9-11H,3-5,7-8H2,1H3

InChIKey

CXPCFXOZPWMTLS-UHFFFAOYSA-N

Compound name

2-cyclohexylethenyl but-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.13068 Da
Monoisotopic Mass: 3.8
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]+	195.13796	147.6
[M+Na]+	217.11990	157.2
[M+NH4]+	212.16450	155.2
[M+K]+	233.09384	150.4
[M-H]-	193.12340	148.4
[M+Na-2H]-	215.10535	151.2
[M]+	194.13013	148.9
[M]-	194.13123	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.