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: 11528
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	131.7
[M+Na]+	185.05730	140.1
[M-H]-	161.06080	135.7
[M+NH4]+	180.10190	152.7
[M+K]+	201.03124	138.3
[M+H-H2O]+	145.06534	126.3
[M+HCOO]-	207.06628	155.9
[M+CH3COO]-	221.08193	177.9
[M+Na-2H]-	183.04275	137.6
[M]+	162.06753	133.2
[M]-	162.06863	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe