CID 3055268

Brn 1958869

Structural Information

Molecular Formula
C9H21O5PS
SMILES
CCCSP(=O)(OCCOC)OCCOC
InChI
InChI=1S/C9H21O5PS/c1-4-9-16-15(10,13-7-5-11-2)14-8-6-12-3/h4-9H2,1-3H3
InChIKey
PLKIUAKTFCEHKC-UHFFFAOYSA-N
Compound name
1-[bis(2-methoxyethoxy)phosphorylsulfanyl]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.08472 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09200 161.1
[M+Na]+ 295.07394 167.8
[M+NH4]+ 290.11854 166.3
[M+K]+ 311.04788 162.1
[M-H]- 271.07744 157.8
[M+Na-2H]- 293.05939 161.1
[M]+ 272.08417 161.2
[M]- 272.08527 161.2
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.