CID 3023678

4-isopropylcyclohexyl methacrylate

Structural Information

Molecular Formula

C₁₃H₂₂O₂

SMILES

CC(C)C1CCC(CC1)OC(=O)C(=C)C

InChI

InChI=1S/C13H22O2/c1-9(2)11-5-7-12(8-6-11)15-13(14)10(3)4/h9,11-12H,3,5-8H2,1-2,4H3

InChIKey

GLRAEAIZFHTQNI-UHFFFAOYSA-N

Compound name

(4-propan-2-ylcyclohexyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 210.16199 Da
Monoisotopic Mass: 3.9
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]+	211.169266	150.9
[M+Na]+	233.151208	154.4
[M-H]-	209.154714	153.3
[M+NH4]+	228.195813	169.5
[M+K]+	249.125148	153.4
[M+H-H2O]+	193.159250	145.2
[M+HCOO]-	255.160191	167.6
[M+CH3COO]-	269.175841	189.9
[M+Na-2H]-	231.136656	149.7
[M]+	210.16144142	147.9
[M]-	210.16253858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe