CID 215287

Sulfone, cyclohexylidenemethyl methyl

Structural Information

Molecular Formula
C8H14O2S
SMILES
CS(=O)(=O)C=C1CCCCC1
InChI
InChI=1S/C8H14O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKey
DGWSPGFKEADWPL-UHFFFAOYSA-N
Compound name
methylsulfonylmethylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07146 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07874 136.2
[M+Na]+ 197.06068 142.3
[M-H]- 173.06418 139.3
[M+NH4]+ 192.10528 156.8
[M+K]+ 213.03462 140.0
[M+H-H2O]+ 157.06872 131.3
[M+HCOO]- 219.06966 151.0
[M+CH3COO]- 233.08531 174.4
[M+Na-2H]- 195.04613 139.3
[M]+ 174.07091 134.0
[M]- 174.07201 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.