CID 2773719

Diethyl (n-methoxy-n-methylcarbamoylmethyl)phosphonate

Structural Information

Molecular Formula
C8H18NO5P
SMILES
CCOP(=O)(CC(=O)N(C)OC)OCC
InChI
InChI=1S/C8H18NO5P/c1-5-13-15(11,14-6-2)7-8(10)9(3)12-4/h5-7H2,1-4H3
InChIKey
WYLRYBDGIILFIR-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-N-methoxy-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

239.09225 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09953 153.3
[M+Na]+ 262.08147 159.1
[M-H]- 238.08497 153.7
[M+NH4]+ 257.12607 171.9
[M+K]+ 278.05541 161.7
[M+H-H2O]+ 222.08951 145.5
[M+HCOO]- 284.09045 182.2
[M+CH3COO]- 298.10610 197.2
[M+Na-2H]- 260.06692 155.4
[M]+ 239.09170 162.2
[M]- 239.09280 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe