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]+ 199.05524 143.3
[M+Na]+ 221.03718 150.9
[M-H]- 197.04068 143.0
[M+NH4]+ 216.08178 164.1
[M+K]+ 237.01112 151.0
[M+H-H2O]+ 181.04522 136.6
[M+HCOO]- 243.04616 165.1
[M+CH3COO]- 257.06181 183.2
[M+Na-2H]- 219.02263 145.4
[M]+ 198.04741 150.6
[M]- 198.04851 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.