CID 116228

64037-01-0

Structural Information

Molecular Formula
C10H24O3PS2
SMILES
CCOP(=O)(OCC)SCCC[S+](C)CC
InChI
InChI=1S/C10H24O3PS2/c1-5-12-14(11,13-6-2)15-9-8-10-16(4)7-3/h5-10H2,1-4H3/q+1
InChIKey
UGRJZAYZHWBBKR-UHFFFAOYSA-N
Compound name
3-diethoxyphosphorylsulfanylpropyl-ethyl-methylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09773 157.5
[M+Na]+ 310.07967 165.9
[M+NH4]+ 305.12427 164.9
[M+K]+ 326.05361 158.9
[M-H]- 286.08317 157.0
[M+Na-2H]- 308.06512 158.5
[M]+ 287.08990 159.5
[M]- 287.09100 159.5
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.