CID 3021106

12-hydroxydodecyl methacrylate

Structural Information

Molecular Formula

C₁₆H₃₀O₃

SMILES

CC(=C)C(=O)OCCCCCCCCCCCCO

InChI

InChI=1S/C16H30O3/c1-15(2)16(18)19-14-12-10-8-6-4-3-5-7-9-11-13-17/h17H,1,3-14H2,2H3

InChIKey

AEZJNQZYZFLLIY-UHFFFAOYSA-N

Compound name

12-hydroxydodecyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2693
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	172.4
[M+Na]+	293.208698	175.2
[M-H]-	269.212204	169.5
[M+NH4]+	288.253303	188.0
[M+K]+	309.182638	172.5
[M+H-H2O]+	253.216740	166.2
[M+HCOO]-	315.217681	190.5
[M+CH3COO]-	329.233331	199.7
[M+Na-2H]-	291.194146	171.1
[M]+	270.21893142	177.1
[M]-	270.22002858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe