CID 24916

2-butyloctyl methacrylate

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCCCCC(CCCC)COC(=O)C(=C)C

InChI

InChI=1S/C16H30O2/c1-5-7-9-10-12-15(11-8-6-2)13-18-16(17)14(3)4/h15H,3,5-13H2,1-2,4H3

InChIKey

VHGQXSVGGOZFAO-UHFFFAOYSA-N

Compound name

2-butyloctyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 254.22458 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]+	255.23186	169.0
[M+Na]+	277.21380	172.2
[M-H]-	253.21730	167.8
[M+NH4]+	272.25840	186.2
[M+K]+	293.18774	170.4
[M+H-H2O]+	237.22184	163.1
[M+HCOO]-	299.22278	187.5
[M+CH3COO]-	313.23843	201.3
[M+Na-2H]-	275.19925	167.1
[M]+	254.22403	173.7
[M]-	254.22513	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe