CID 577531

4-tert-butoxystyrene

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC(C)(C)OC1=CC=C(C=C1)C=C

InChI

InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3

InChIKey

GRFNSWBVXHLTCI-UHFFFAOYSA-N

Compound name

1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6800
Patents: 176.12012 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]+	177.12740	140.2
[M+Na]+	199.10934	153.3
[M+NH4]+	194.15394	149.0
[M+K]+	215.08328	146.3
[M-H]-	175.11284	142.3
[M+Na-2H]-	197.09479	147.4
[M]+	176.11957	142.8
[M]-	176.12067	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe