CID 83410

Hexadecyl acrylate

Structural Information

Molecular Formula

C₁₉H₃₆O₂

SMILES

CCCCCCCCCCCCCCCCOC(=O)C=C

InChI

InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h4H,2-3,5-18H2,1H3

InChIKey

PZDUWXKXFAIFOR-UHFFFAOYSA-N

Compound name

hexadecyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9995
Patents: 296.27155 Da
Monoisotopic Mass: 8.3
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]+	297.27883	181.9
[M+Na]+	319.26077	184.2
[M-H]-	295.26427	179.9
[M+NH4]+	314.30537	197.4
[M+K]+	335.23471	180.7
[M+H-H2O]+	279.26881	175.1
[M+HCOO]-	341.26975	201.3
[M+CH3COO]-	355.28540	208.6
[M+Na-2H]-	317.24622	180.8
[M]+	296.27100	189.0
[M]-	296.27210	189.0

Literature stripe

literature stripe

Patent stripe

patents stripe