CID 3051046

67242-43-7

Structural Information

Molecular Formula
C7H16NO2PS
SMILES
CC(C)C(=O)P(=O)(N(C)C)SC
InChI
InChI=1S/C7H16NO2PS/c1-6(2)7(9)11(10,12-5)8(3)4/h6H,1-5H3
InChIKey
ULLOSYMHSOGGDL-UHFFFAOYSA-N
Compound name
1-[dimethylamino(methylsulfanyl)phosphoryl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06393 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07121 145.0
[M+Na]+ 232.05315 150.8
[M-H]- 208.05665 145.8
[M+NH4]+ 227.09775 165.3
[M+K]+ 248.02709 151.4
[M+H-H2O]+ 192.06119 137.4
[M+HCOO]- 254.06213 167.2
[M+CH3COO]- 268.07778 193.3
[M+Na-2H]- 230.03860 143.0
[M]+ 209.06338 150.4
[M]- 209.06448 150.4
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.