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]+ 284.05385 157.7
[M+Na]+ 306.03579 164.2
[M-H]- 282.03929 161.1
[M+NH4]+ 301.08039 177.2
[M+K]+ 322.00973 162.2
[M+H-H2O]+ 266.04383 149.6
[M+HCOO]- 328.04477 176.8
[M+CH3COO]- 342.06042 201.1
[M+Na-2H]- 304.02124 154.7
[M]+ 283.04602 163.6
[M]- 283.04712 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.