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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07874 143.4
[M+Na]+ 233.06068 151.9
[M-H]- 209.06418 147.5
[M+NH4]+ 228.10528 163.0
[M+K]+ 249.03462 148.6
[M+H-H2O]+ 193.06872 138.1
[M+HCOO]- 255.06966 160.5
[M+CH3COO]- 269.08531 185.0
[M+Na-2H]- 231.04613 146.2
[M]+ 210.07091 146.3
[M]- 210.07201 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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