CID 207729

O-ethyl s-methyl acetylphosphoramidothioate

Structural Information

Molecular Formula
C5H12NO3PS
SMILES
CCOP(=O)(NC(=O)C)SC
InChI
InChI=1S/C5H12NO3PS/c1-4-9-10(8,11-3)6-5(2)7/h4H2,1-3H3,(H,6,7,8)
InChIKey
KXSBQOAMGUEKGP-UHFFFAOYSA-N
Compound name
N-[ethoxy(methylsulfanyl)phosphoryl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.02756 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03484 140.2
[M+Na]+ 220.01678 146.9
[M-H]- 196.02028 139.7
[M+NH4]+ 215.06138 160.3
[M+K]+ 235.99072 146.5
[M+H-H2O]+ 180.02482 132.7
[M+HCOO]- 242.02576 163.9
[M+CH3COO]- 256.04141 184.3
[M+Na-2H]- 218.00223 141.0
[M]+ 197.02701 145.4
[M]- 197.02811 145.4
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.