CID 13847818

Isoundecyl methacrylate

Structural Information

Molecular Formula

C₁₅H₂₈O₂

SMILES

CC(C)CCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C15H28O2/c1-13(2)11-9-7-5-6-8-10-12-17-15(16)14(3)4/h13H,3,5-12H2,1-2,4H3

InChIKey

ZZCMAAVCSRLUDI-UHFFFAOYSA-N

Compound name

9-methyldecyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 240.20892 Da
Monoisotopic Mass: 6.4
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]+	241.216196	164.4
[M+Na]+	263.198138	168.0
[M-H]-	239.201644	163.4
[M+NH4]+	258.242743	182.1
[M+K]+	279.172078	166.5
[M+H-H2O]+	223.206180	158.6
[M+HCOO]-	285.207121	183.2
[M+CH3COO]-	299.222771	198.3
[M+Na-2H]-	261.183586	163.0
[M]+	240.20837142	168.6
[M]-	240.20946858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe