CID 3057038

Malonylmethamidophos

Structural Information

Molecular Formula
C7H14NO5PS
SMILES
CCOC(=O)CC(=O)NP(=O)(OC)SC
InChI
InChI=1S/C7H14NO5PS/c1-4-13-7(10)5-6(9)8-14(11,12-2)15-3/h4-5H2,1-3H3,(H,8,9,11)
InChIKey
LXHIGQCQMDOLFZ-UHFFFAOYSA-N
Compound name
ethyl 3-[[methoxy(methylsulfanyl)phosphoryl]amino]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03304 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04032 155.6
[M+Na]+ 278.02226 160.8
[M+NH4]+ 273.06686 159.7
[M+K]+ 293.99620 157.4
[M-H]- 254.02576 151.5
[M+Na-2H]- 276.00771 154.9
[M]+ 255.03249 154.9
[M]- 255.03359 154.9
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.