CID 9024

Dimethylbenzylcarbinyl acetate

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CC(=O)OC(C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3

InChIKey

FLUWAIIVLCVEKF-UHFFFAOYSA-N

Compound name

(2-methyl-1-phenylpropan-2-yl) acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 10224
Patents: 192.11504 Da
Monoisotopic Mass: 2.7
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]+	193.12232	143.6
[M+Na]+	215.10426	155.5
[M+NH4]+	210.14886	151.7
[M+K]+	231.07820	149.7
[M-H]-	191.10776	144.9
[M+Na-2H]-	213.08971	150.2
[M]+	192.11449	145.7
[M]-	192.11559	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe