CID 91912

2,6-xylyl methacrylate

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC1=C(C(=CC=C1)C)OC(=O)C(=C)C

InChI

InChI=1S/C12H14O2/c1-8(2)12(13)14-11-9(3)6-5-7-10(11)4/h5-7H,1H2,2-4H3

InChIKey

UWDKOKUSUKKWOT-UHFFFAOYSA-N

Compound name

(2,6-dimethylphenyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 190.09938 Da
Monoisotopic Mass: 3.3
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]+	191.106656	139.8
[M+Na]+	213.088598	148.0
[M-H]-	189.092104	144.0
[M+NH4]+	208.133203	160.0
[M+K]+	229.062538	146.3
[M+H-H2O]+	173.096640	134.4
[M+HCOO]-	235.097581	162.4
[M+CH3COO]-	249.113231	186.0
[M+Na-2H]-	211.074046	142.8
[M]+	190.09883142	141.8
[M]-	190.09992858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe