CID 62341

1-phenylethyl acetate

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC(C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3

InChIKey

QUMXDOLUJCHOAY-UHFFFAOYSA-N

Compound name

1-phenylethyl acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 12
References: 18979
Patents: 164.08372 Da
Monoisotopic Mass: 2.0
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]+	165.09100	134.7
[M+Na]+	187.07294	147.0
[M+NH4]+	182.11754	143.2
[M+K]+	203.04688	141.2
[M-H]-	163.07644	136.5
[M+Na-2H]-	185.05839	141.6
[M]+	164.08317	136.9
[M]-	164.08427	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe