CID 61331

Guaiacyl phenylacetate

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

COC1=CC=CC=C1OC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3

InChIKey

KNVYLIIBQXVDKC-UHFFFAOYSA-N

Compound name

(2-methoxyphenyl) 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 194
Patents: 242.0943 Da
Monoisotopic Mass: 3.0
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]+	243.10158	154.1
[M+Na]+	265.08352	168.6
[M+NH4]+	260.12812	162.5
[M+K]+	281.05746	161.0
[M-H]-	241.08702	158.3
[M+Na-2H]-	263.06897	163.6
[M]+	242.09375	157.4
[M]-	242.09485	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe