CID 6509927

63907-31-3

Structural Information

Molecular Formula
C9H18NO3PS2
SMILES
CCC1CS/C(=N/P(=O)(OCC)OCC)/S1
InChI
InChI=1S/C9H18NO3PS2/c1-4-8-7-15-9(16-8)10-14(11,12-5-2)13-6-3/h8H,4-7H2,1-3H3/b10-9-
InChIKey
OHGALUAHIAGMAC-KTKRTIGZSA-N
Compound name
(Z)-N-diethoxyphosphoryl-4-ethyl-1,3-dithiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.04657 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.053846 158.5
[M+Na]+ 306.035788 164.3
[M-H]- 282.039294 161.5
[M+NH4]+ 301.080393 177.7
[M+K]+ 322.009728 162.3
[M+H-H2O]+ 266.043830 150.1
[M+HCOO]- 328.044771 177.7
[M+CH3COO]- 342.060421 200.0
[M+Na-2H]- 304.021236 156.0
[M]+ 283.04602142 164.0
[M]- 283.04711858 164.0
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.