CID 75821

4-acetoxystyrene

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3

InChIKey

JAMNSIXSLVPNLC-UHFFFAOYSA-N

Compound name

(4-ethenylphenyl) acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 10983
Patents: 162.06808 Da
Monoisotopic Mass: 2.5
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]+	163.07536	133.4
[M+Na]+	185.05730	146.5
[M+NH4]+	180.10190	141.8
[M+K]+	201.03124	140.0
[M-H]-	161.06080	135.2
[M+Na-2H]-	183.04275	140.3
[M]+	162.06753	135.7
[M]-	162.06863	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe