CID 3048494

63907-30-2

Structural Information

Molecular Formula
C9H18NO3PS2
SMILES
CCOP(=O)(N=C1SC(C(S1)C)C)OCC
InChI
InChI=1S/C9H18NO3PS2/c1-5-12-14(11,13-6-2)10-9-15-7(3)8(4)16-9/h7-8H,5-6H2,1-4H3
InChIKey
KJXCPVHEMAKFKX-UHFFFAOYSA-N
Compound name
N-diethoxyphosphoryl-4,5-dimethyl-1,3-dithiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.04657 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.053846 157.7
[M+Na]+ 306.035788 164.2
[M-H]- 282.039294 161.1
[M+NH4]+ 301.080393 177.2
[M+K]+ 322.009728 162.2
[M+H-H2O]+ 266.043830 149.6
[M+HCOO]- 328.044771 176.8
[M+CH3COO]- 342.060421 201.1
[M+Na-2H]- 304.021236 154.7
[M]+ 283.04602142 163.6
[M]- 283.04711858 163.6
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.