CID 5960065

Styryl acetate

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC(=O)O/C=C/C1=CC=CC=C1

InChI

InChI=1S/C10H10O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

InChIKey

FMFHUEMLVAIBFI-BQYQJAHWSA-N

Compound name

[(E)-2-phenylethenyl] acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 12492
Patents: 162.06808 Da
Monoisotopic Mass: 2.1
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]+	163.075356	132.9
[M+Na]+	185.057298	140.4
[M-H]-	161.060804	136.6
[M+NH4]+	180.101903	153.6
[M+K]+	201.031238	138.6
[M+H-H2O]+	145.065340	127.3
[M+HCOO]-	207.066281	157.1
[M+CH3COO]-	221.081931	176.1
[M+Na-2H]-	183.042746	139.5
[M]+	162.06753142	133.9
[M]-	162.06862858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe