CID 77260

2-phenylethyl methacrylate

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC(=C)C(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C12H14O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3

InChIKey

ILZXXGLGJZQLTR-UHFFFAOYSA-N

Compound name

2-phenylethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 8567
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	142.3
[M+Na]+	213.088598	148.6
[M-H]-	189.092104	145.6
[M+NH4]+	208.133203	161.7
[M+K]+	229.062538	146.7
[M+H-H2O]+	173.096640	136.3
[M+HCOO]-	235.097581	164.8
[M+CH3COO]-	249.113231	183.7
[M+Na-2H]-	211.074046	146.5
[M]+	190.09883142	143.5
[M]-	190.09992858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe