CID 216830

37744-84-6

Structural Information

Molecular Formula
C9H20NO3PS2
SMILES
CCCOP(=S)(OCCC)SCC(=O)NC
InChI
InChI=1S/C9H20NO3PS2/c1-4-6-12-14(15,13-7-5-2)16-8-9(11)10-3/h4-8H2,1-3H3,(H,10,11)
InChIKey
VLXQHTBLCNCEFV-UHFFFAOYSA-N
Compound name
2-dipropoxyphosphinothioylsulfanyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.06223 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06951 161.1
[M+Na]+ 308.05145 165.3
[M-H]- 284.05495 159.2
[M+NH4]+ 303.09605 177.4
[M+K]+ 324.02539 162.2
[M+H-H2O]+ 268.05949 152.0
[M+HCOO]- 330.06043 177.7
[M+CH3COO]- 344.07608 200.9
[M+Na-2H]- 306.03690 158.4
[M]+ 285.06168 167.7
[M]- 285.06278 167.7
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.