CID 84641

2-(benzoyloxy)ethyl methacrylate

Structural Information

Molecular Formula

C₁₃H₁₄O₄

SMILES

CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H14O4/c1-10(2)12(14)16-8-9-17-13(15)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3

InChIKey

IRUHNBOMXBGOGR-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enoyloxy)ethyl benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 228
Patents: 234.0892 Da
Monoisotopic Mass: 2.8
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]+	235.096476	151.8
[M+Na]+	257.078418	157.6
[M-H]-	233.081924	155.0
[M+NH4]+	252.123023	169.2
[M+K]+	273.052358	156.5
[M+H-H2O]+	217.086460	145.3
[M+HCOO]-	279.087401	173.6
[M+CH3COO]-	293.103051	190.1
[M+Na-2H]-	255.063866	154.3
[M]+	234.08865142	154.8
[M]-	234.08974858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe