CID 3051042

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

Structural Information

Molecular Formula
C5H12NO2PS
SMILES
CCP(=O)(NC(=O)C)SC
InChI
InChI=1S/C5H12NO2PS/c1-4-9(8,10-3)6-5(2)7/h4H2,1-3H3,(H,6,7,8)
InChIKey
XDMPBNDKBRDFDK-UHFFFAOYSA-N
Compound name
N-[ethyl(methylsulfanyl)phosphoryl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03264 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03992 137.4
[M+Na]+ 204.02186 144.2
[M-H]- 180.02536 137.0
[M+NH4]+ 199.06646 158.3
[M+K]+ 219.99580 143.4
[M+H-H2O]+ 164.02990 130.2
[M+HCOO]- 226.03084 160.8
[M+CH3COO]- 240.04649 182.2
[M+Na-2H]- 202.00731 138.0
[M]+ 181.03209 141.2
[M]- 181.03319 141.2
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.