CID 40557

Oxalylmethamidophos

Structural Information

Molecular Formula
C6H12NO5PS
SMILES
CCOC(=O)C(=O)NP(=O)(OC)SC
InChI
InChI=1S/C6H12NO5PS/c1-4-12-6(9)5(8)7-13(10,11-2)14-3/h4H2,1-3H3,(H,7,8,10)
InChIKey
KNGMWKJQTSWAIS-UHFFFAOYSA-N
Compound name
ethyl 2-[[methoxy(methylsulfanyl)phosphoryl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01738 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02466 148.7
[M+Na]+ 264.00660 154.7
[M-H]- 240.01010 148.0
[M+NH4]+ 259.05120 166.8
[M+K]+ 279.98054 155.0
[M+H-H2O]+ 224.01464 140.8
[M+HCOO]- 286.01558 171.7
[M+CH3COO]- 300.03123 190.0
[M+Na-2H]- 261.99205 148.7
[M]+ 241.01683 155.5
[M]- 241.01793 155.5
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.