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]+ 196.05558 142.1
[M+Na]+ 218.03752 148.5
[M-H]- 194.04102 141.4
[M+NH4]+ 213.08212 162.4
[M+K]+ 234.01146 147.3
[M+H-H2O]+ 178.04556 134.6
[M+HCOO]- 240.04650 165.1
[M+CH3COO]- 254.06215 185.3
[M+Na-2H]- 216.02297 142.1
[M]+ 195.04775 146.2
[M]- 195.04885 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.