CID 212116

Brn 2270184

Structural Information

Molecular Formula
C8H18NO3PS2
SMILES
CCOP(=S)(OCC)SCCC(=O)NC
InChI
InChI=1S/C8H18NO3PS2/c1-4-11-13(14,12-5-2)15-7-6-8(10)9-3/h4-7H2,1-3H3,(H,9,10)
InChIKey
MFDULOINDBZJJB-UHFFFAOYSA-N
Compound name
3-diethoxyphosphinothioylsulfanyl-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04657 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05385 156.8
[M+Na]+ 294.03579 161.4
[M-H]- 270.03929 155.0
[M+NH4]+ 289.08039 173.7
[M+K]+ 310.00973 158.5
[M+H-H2O]+ 254.04383 147.9
[M+HCOO]- 316.04477 173.7
[M+CH3COO]- 330.06042 197.9
[M+Na-2H]- 292.02124 154.5
[M]+ 271.04602 163.0
[M]- 271.04712 163.0
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.