CID 110663

5526-11-4

Structural Information

Molecular Formula
C9H18NO2PS3
SMILES
CCOP(=S)(N=C1SC(C(S1)C)C)OCC
InChI
InChI=1S/C9H18NO2PS3/c1-5-11-13(14,12-6-2)10-9-15-7(3)8(4)16-9/h7-8H,5-6H2,1-4H3
InChIKey
HIVOJILAZCFUPS-UHFFFAOYSA-N
Compound name
N-diethoxyphosphinothioyl-4,5-dimethyl-1,3-dithiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.02374 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03102 159.3
[M+Na]+ 322.01296 165.6
[M-H]- 298.01646 161.6
[M+NH4]+ 317.05756 177.6
[M+K]+ 337.98690 161.1
[M+H-H2O]+ 282.02100 150.8
[M+HCOO]- 344.02194 172.1
[M+CH3COO]- 358.03759 204.3
[M+Na-2H]- 319.99841 155.2
[M]+ 299.02319 162.6
[M]- 299.02429 162.6
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.