CID 106998

2-ethyl-1,3-hexanediol, dimethacrylate

Structural Information

Molecular Formula

C₁₆H₂₆O₄

SMILES

CCCC(C(CC)COC(=O)C(=C)C)OC(=O)C(=C)C

InChI

InChI=1S/C16H26O4/c1-7-9-14(20-16(18)12(5)6)13(8-2)10-19-15(17)11(3)4/h13-14H,3,5,7-10H2,1-2,4,6H3

InChIKey

XCEMCGLOIBZVIY-UHFFFAOYSA-N

Compound name

[2-ethyl-3-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 282.1831 Da
Monoisotopic Mass: 4.4
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]+	283.190376	170.0
[M+Na]+	305.172318	173.3
[M-H]-	281.175824	169.2
[M+NH4]+	300.216923	185.7
[M+K]+	321.146258	172.9
[M+H-H2O]+	265.180360	164.4
[M+HCOO]-	327.181301	186.6
[M+CH3COO]-	341.196951	205.4
[M+Na-2H]-	303.157766	164.9
[M]+	282.18255142	174.3
[M]-	282.18364858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe