CID 67146

M-cresyl phenylacetate

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

CC1=CC(=CC=C1)OC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H14O2/c1-12-6-5-9-14(10-12)17-15(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3

InChIKey

LSWZGOVODYFNQO-UHFFFAOYSA-N

Compound name

(3-methylphenyl) 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 70
Patents: 226.09938 Da
Monoisotopic Mass: 3.7
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]+	227.10666	150.9
[M+Na]+	249.08860	165.9
[M+NH4]+	244.13320	160.0
[M+K]+	265.06254	157.8
[M-H]-	225.09210	155.7
[M+Na-2H]-	247.07405	160.9
[M]+	226.09883	154.5
[M]-	226.09993	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe