CID 22019928

4-methylcyclohexyl methacrylate

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1CCC(CC1)OC(=O)C(=C)C

InChI

InChI=1S/C11H18O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h9-10H,1,4-7H2,2-3H3

InChIKey

IWVNGOKOJNZZKX-UHFFFAOYSA-N

Compound name

(4-methylcyclohexyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 513
Patents: 182.13068 Da
Monoisotopic Mass: 3.1
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]+	183.137956	141.9
[M+Na]+	205.119898	146.5
[M-H]-	181.123404	144.7
[M+NH4]+	200.164503	161.7
[M+K]+	221.093838	145.6
[M+H-H2O]+	165.127940	136.5
[M+HCOO]-	227.128881	160.3
[M+CH3COO]-	241.144531	182.9
[M+Na-2H]-	203.105346	143.0
[M]+	182.13013142	138.8
[M]-	182.13122858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe