CID 3051045

67242-42-6

Structural Information

Molecular Formula
C8H18NO2PS
SMILES
CCCC(=O)P(=O)(N(C)C)SCC
InChI
InChI=1S/C8H18NO2PS/c1-5-7-8(10)12(11,9(3)4)13-6-2/h5-7H2,1-4H3
InChIKey
UKHDIDGONINSEN-UHFFFAOYSA-N
Compound name
1-[dimethylamino(ethylsulfanyl)phosphoryl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07959 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08687 151.6
[M+Na]+ 246.06881 158.6
[M+NH4]+ 241.11341 158.0
[M+K]+ 262.04275 153.1
[M-H]- 222.07231 150.0
[M+Na-2H]- 244.05426 152.7
[M]+ 223.07904 152.2
[M]- 223.08014 152.2
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.