CID 140043

2-methyl-2-propenyl p-tolyl sulphone

Structural Information

Molecular Formula

C₁₁H₁₄O₂S

SMILES

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

InChI

InChI=1S/C11H14O2S/c1-9(2)8-14(12,13)11-6-4-10(3)5-7-11/h4-7H,1,8H2,2-3H3

InChIKey

KKSRFROTRSZRSD-UHFFFAOYSA-N

Compound name

1-methyl-4-(2-methylprop-2-enylsulfonyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.07146 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]+	211.07874	146.8
[M+Na]+	233.06068	158.6
[M+NH4]+	228.10528	154.7
[M+K]+	249.03462	150.9
[M-H]-	209.06418	147.8
[M+Na-2H]-	231.04613	152.2
[M]+	210.07091	149.2
[M]-	210.07201	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe