CID 225722

5464-68-6

Structural Information

Molecular Formula

C₆H₁₄NO₄P

SMILES

CCOP(=O)(CC(=O)N)OCC

InChI

InChI=1S/C6H14NO4P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H2,7,8)

InChIKey

QPVCUQOSWAXEOQ-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 195
Patents: 195.06604 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.07332	143.2
[M+Na]+	218.05526	149.7
[M-H]-	194.05876	141.8
[M+NH4]+	213.09986	162.6
[M+K]+	234.02920	150.3
[M+H-H2O]+	178.06330	136.0
[M+HCOO]-	240.06424	171.3
[M+CH3COO]-	254.07989	185.7
[M+Na-2H]-	216.04071	145.5
[M]+	195.06549	147.5
[M]-	195.06659	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe