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 153.2
[M+Na]+ 278.02226 158.6
[M-H]- 254.02576 152.2
[M+NH4]+ 273.06686 170.6
[M+K]+ 293.99620 158.7
[M+H-H2O]+ 238.03030 145.0
[M+HCOO]- 300.03124 175.8
[M+CH3COO]- 314.04689 193.7
[M+Na-2H]- 276.00771 152.6
[M]+ 255.03249 160.4
[M]- 255.03359 160.4
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.