CID 75617

Benzyl acrylate

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C=CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2

InChIKey

GCTPMLUUWLLESL-UHFFFAOYSA-N

Compound name

benzyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 69413
Patents: 162.06808 Da
Monoisotopic Mass: 2.6
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	134.0
[M+Na]+	185.05730	146.7
[M+NH4]+	180.10190	142.4
[M+K]+	201.03124	140.0
[M-H]-	161.06080	135.7
[M+Na-2H]-	183.04275	141.1
[M]+	162.06753	136.2
[M]-	162.06863	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe