CID 3061885

O,o-dimethyl s-tert-butyl phosphorothioate

Structural Information

Molecular Formula
C6H15O3PS
SMILES
CC(C)(C)SP(=O)(OC)OC
InChI
InChI=1S/C6H15O3PS/c1-6(2,3)11-10(7,8-4)9-5/h1-5H3
InChIKey
ZFUWRLMLTYFAOE-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylsulfanyl-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04796 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.055236 143.3
[M+Na]+ 221.037178 150.9
[M-H]- 197.040684 143.0
[M+NH4]+ 216.081783 164.1
[M+K]+ 237.011118 151.0
[M+H-H2O]+ 181.045220 136.6
[M+HCOO]- 243.046161 165.1
[M+CH3COO]- 257.061811 183.2
[M+Na-2H]- 219.022626 145.4
[M]+ 198.04741142 150.6
[M]- 198.04850858 150.6
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.