CID 3051043

N-acetyl-p-ethylphosphonamidothioic acid s-ethyl ester

Structural Information

Molecular Formula
C6H14NO2PS
SMILES
CCP(=O)(NC(=O)C)SCC
InChI
InChI=1S/C6H14NO2PS/c1-4-10(9,11-5-2)7-6(3)8/h4-5H2,1-3H3,(H,7,8,9)
InChIKey
LDOHJDKAHQPDPU-UHFFFAOYSA-N
Compound name
N-[ethyl(ethylsulfanyl)phosphoryl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0483 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.055576 142.1
[M+Na]+ 218.037518 148.5
[M-H]- 194.041024 141.4
[M+NH4]+ 213.082123 162.4
[M+K]+ 234.011458 147.3
[M+H-H2O]+ 178.045560 134.6
[M+HCOO]- 240.046501 165.1
[M+CH3COO]- 254.062151 185.3
[M+Na-2H]- 216.022966 142.1
[M]+ 195.04775142 146.2
[M]- 195.04884858 146.2
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.