CID 18298

Cyclohexyl acrylate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C=CC(=O)OC1CCCCC1

InChI

InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2

InChIKey

KBLWLMPSVYBVDK-UHFFFAOYSA-N

Compound name

cyclohexyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 78741
Patents: 154.09938 Da
Monoisotopic Mass: 2.5
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	133.7
[M+Na]+	177.08860	138.4
[M-H]-	153.09210	136.4
[M+NH4]+	172.13320	154.4
[M+K]+	193.06254	137.5
[M+H-H2O]+	137.09664	128.2
[M+HCOO]-	199.09758	153.8
[M+CH3COO]-	213.11323	174.9
[M+Na-2H]-	175.07405	137.7
[M]+	154.09883	130.1
[M]-	154.09993	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe