CID 210586

21327-31-1

Structural Information

Molecular Formula
C13H22NO4PS
SMILES
CCCN1C(=CC(=CC1=O)OP(=S)(OCC)OCC)C
InChI
InChI=1S/C13H22NO4PS/c1-5-8-14-11(4)9-12(10-13(14)15)18-19(20,16-6-2)17-7-3/h9-10H,5-8H2,1-4H3
InChIKey
HKRGNMRSLBMGGM-UHFFFAOYSA-N
Compound name
4-diethoxyphosphinothioyloxy-6-methyl-1-propylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10798 172.7
[M+Na]+ 342.08992 183.0
[M+NH4]+ 337.13452 178.0
[M+K]+ 358.06386 176.1
[M-H]- 318.09342 171.8
[M+Na-2H]- 340.07537 175.4
[M]+ 319.10015 174.2
[M]- 319.10125 174.2
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.