CID 34763

Isodecyl methacrylate

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CC(C)CCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C14H26O2/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4/h12H,3,5-11H2,1-2,4H3

InChIKey

COCLLEMEIJQBAG-UHFFFAOYSA-N

Compound name

8-methylnonyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 0
References: 31287
Patents: 226.19328 Da
Monoisotopic Mass: 5.8
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]+	227.20056	159.7
[M+Na]+	249.18250	163.7
[M-H]-	225.18600	158.9
[M+NH4]+	244.22710	178.0
[M+K]+	265.15644	162.5
[M+H-H2O]+	209.19054	154.1
[M+HCOO]-	271.19148	178.9
[M+CH3COO]-	285.20713	195.3
[M+Na-2H]-	247.16795	158.8
[M]+	226.19273	163.6
[M]-	226.19383	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe