CID 22082

Compound 325

Structural Information

Molecular Formula
C11H24NO2PS3
SMILES
CCCOP(=S)(OCCC)SC(=S)N(CC)CC
InChI
InChI=1S/C11H24NO2PS3/c1-5-9-13-15(17,14-10-6-2)18-11(16)12(7-3)8-4/h5-10H2,1-4H3
InChIKey
KFHPJLUQVXEIOC-UHFFFAOYSA-N
Compound name
dipropoxyphosphinothioyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3530
Patents

329.07068 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07796 169.5
[M+Na]+ 352.05990 172.6
[M-H]- 328.06340 167.8
[M+NH4]+ 347.10450 184.3
[M+K]+ 368.03384 167.7
[M+H-H2O]+ 312.06794 159.4
[M+HCOO]- 374.06888 179.5
[M+CH3COO]- 388.08453 212.3
[M+Na-2H]- 350.04535 164.6
[M]+ 329.07013 175.1
[M]- 329.07123 175.1
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.