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: 224
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]+	235.09648	152.1
[M+Na]+	257.07842	163.2
[M+NH4]+	252.12302	158.3
[M+K]+	273.05236	157.9
[M-H]-	233.08192	152.2
[M+Na-2H]-	255.06387	156.7
[M]+	234.08865	153.4
[M]-	234.08975	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe