CID 6452349

Isododecyl methacrylate

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CC(C)CCCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C16H30O2/c1-14(2)12-10-8-6-5-7-9-11-13-18-16(17)15(3)4/h14H,3,5-13H2,1-2,4H3

InChIKey

TUHHNZDBGKJLMZ-UHFFFAOYSA-N

Compound name

10-methylundecyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 254.22458 Da
Monoisotopic Mass: 6.9
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]+	255.231856	169.0
[M+Na]+	277.213798	172.2
[M-H]-	253.217304	167.8
[M+NH4]+	272.258403	186.2
[M+K]+	293.187738	170.4
[M+H-H2O]+	237.221840	163.1
[M+HCOO]-	299.222781	187.5
[M+CH3COO]-	313.238431	201.3
[M+Na-2H]-	275.199246	167.1
[M]+	254.22403142	173.7
[M]-	254.22512858	173.7

Literature stripe

literature stripe

Patent stripe

patents stripe