CID 6509927

American cyanamid ac 47,826

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]+ 284.05385 158.5
[M+Na]+ 306.03579 164.3
[M-H]- 282.03929 161.5
[M+NH4]+ 301.08039 177.7
[M+K]+ 322.00973 162.3
[M+H-H2O]+ 266.04383 150.1
[M+HCOO]- 328.04477 177.7
[M+CH3COO]- 342.06042 200.0
[M+Na-2H]- 304.02124 156.0
[M]+ 283.04602 164.0
[M]- 283.04712 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.