CID 107098

68083-58-9

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

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

InChI

InChI=1S/C14H20O2/c1-11(16-12(2)15)10-14(3,4)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3

InChIKey

MXIGGIZQUGDKAP-UHFFFAOYSA-N

Compound name

(4-methyl-4-phenylpentan-2-yl) acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 387
Patents: 220.14633 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]+	221.15361	152.3
[M+Na]+	243.13555	163.5
[M+NH4]+	238.18015	159.9
[M+K]+	259.10949	158.0
[M-H]-	219.13905	153.3
[M+Na-2H]-	241.12100	158.1
[M]+	220.14578	154.2
[M]-	220.14688	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe