CID 59317428

4-acetoxyphenethyl acrylate

Structural Information

Molecular Formula

C₁₃H₁₄O₄

SMILES

CC(=O)OC1=CC=C(C=C1)CCOC(=O)C=C

InChI

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

InChIKey

UPRJCBCFGSJZJU-UHFFFAOYSA-N

Compound name

2-(4-acetyloxyphenyl)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 234.0892 Da
Monoisotopic Mass: 2.4
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]+	235.096476	150.8
[M+Na]+	257.078418	157.8
[M-H]-	233.081924	154.3
[M+NH4]+	252.123023	168.6
[M+K]+	273.052358	156.3
[M+H-H2O]+	217.086460	144.4
[M+HCOO]-	279.087401	173.6
[M+CH3COO]-	293.103051	190.4
[M+Na-2H]-	255.063866	153.9
[M]+	234.08865142	154.9
[M]-	234.08974858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe