CID 112323

2-(allyloxy)-2-phenylpropane

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC(C)(C1=CC=CC=C1)OCC=C

InChI

InChI=1S/C12H16O/c1-4-10-13-12(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3

InChIKey

AZHRVNVMEODXMJ-UHFFFAOYSA-N

Compound name

2-prop-2-enoxypropan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 176.12012 Da
Monoisotopic Mass: 2.8
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]+	177.127396	139.5
[M+Na]+	199.109338	146.5
[M-H]-	175.112844	143.0
[M+NH4]+	194.153943	159.9
[M+K]+	215.083278	144.3
[M+H-H2O]+	159.117380	134.1
[M+HCOO]-	221.118321	162.1
[M+CH3COO]-	235.133971	182.0
[M+Na-2H]-	197.094786	146.9
[M]+	176.11957142	140.9
[M]-	176.12066858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe