CID 165756025

2-[2-(2-methylpropane-2-sulfonyl)ethyl]oxirane

Structural Information

Molecular Formula
C8H16O3S
SMILES
CC(C)(C)S(=O)(=O)CCC1CO1
InChI
InChI=1S/C8H16O3S/c1-8(2,3)12(9,10)5-4-7-6-11-7/h7H,4-6H2,1-3H3
InChIKey
XKFAPVACYOUSOH-UHFFFAOYSA-N
Compound name
2-(2-tert-butylsulfonylethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08202 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08930 139.2
[M+Na]+ 215.07124 148.4
[M-H]- 191.07474 144.7
[M+NH4]+ 210.11584 153.5
[M+K]+ 231.04518 147.5
[M+H-H2O]+ 175.07928 133.7
[M+HCOO]- 237.08022 154.7
[M+CH3COO]- 251.09587 183.1
[M+Na-2H]- 213.05669 145.1
[M]+ 192.08147 146.7
[M]- 192.08257 146.7
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.