CID 77098499

76960-87-7

Structural Information

Molecular Formula
C6H15O3PS
SMILES
CCCSP(=O)(OC)OCC
InChI
InChI=1S/C6H15O3PS/c1-4-6-11-10(7,8-3)9-5-2/h4-6H2,1-3H3
InChIKey
BLMDNYFPFQLYIY-UHFFFAOYSA-N
Compound name
1-[ethoxy(methoxy)phosphoryl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

198.04796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.055236 142.3
[M+Na]+ 221.037178 149.5
[M-H]- 197.040684 141.7
[M+NH4]+ 216.081783 162.9
[M+K]+ 237.011118 149.1
[M+H-H2O]+ 181.045220 135.1
[M+HCOO]- 243.046161 165.6
[M+CH3COO]- 257.061811 183.4
[M+Na-2H]- 219.022626 143.3
[M]+ 198.04741142 150.2
[M]- 198.04850858 150.2
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.