CID 7561

Cyclohexyl methacrylate

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(=C)C(=O)OC1CCCCC1

InChI

InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3

InChIKey

OIWOHHBRDFKZNC-UHFFFAOYSA-N

Compound name

cyclohexyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 4
References: 93380
Patents: 168.11504 Da
Monoisotopic Mass: 2.9
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]+	169.12232	138.4
[M+Na]+	191.10426	142.4
[M-H]-	167.10776	140.9
[M+NH4]+	186.14886	158.4
[M+K]+	207.07820	141.7
[M+H-H2O]+	151.11230	132.8
[M+HCOO]-	213.11324	157.1
[M+CH3COO]-	227.12889	178.8
[M+Na-2H]-	189.08971	140.6
[M]+	168.11449	134.5
[M]-	168.11559	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe