CID 114522

2-hydroxydodecyl methacrylate

Structural Information

Molecular Formula

C₁₆H₃₀O₃

SMILES

CCCCCCCCCCC(COC(=O)C(=C)C)O

InChI

InChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-15(17)13-19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3

InChIKey

RDFIICFCNKXLHC-UHFFFAOYSA-N

Compound name

2-hydroxydodecyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 270.21948 Da
Monoisotopic Mass: 5.6
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]+	271.226756	172.7
[M+Na]+	293.208698	175.3
[M-H]-	269.212204	170.0
[M+NH4]+	288.253303	188.3
[M+K]+	309.182638	173.2
[M+H-H2O]+	253.216740	166.6
[M+HCOO]-	315.217681	189.8
[M+CH3COO]-	329.233331	200.5
[M+Na-2H]-	291.194146	170.1
[M]+	270.21893142	176.8
[M]-	270.22002858	176.8

Literature stripe

literature stripe

Patent stripe

patents stripe