CID 3248918

17053-13-3

Structural Information

Molecular Formula

C₈H₁₉O₅P

SMILES

CCOP(=O)(CC(OC)OC)OCC

InChI

InChI=1S/C8H19O5P/c1-5-12-14(9,13-6-2)7-8(10-3)11-4/h8H,5-7H2,1-4H3

InChIKey

XMORGWRBGODJMM-UHFFFAOYSA-N

Compound name

2-diethoxyphosphoryl-1,1-dimethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 226.09702 Da
Monoisotopic Mass: 0.0
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]+	227.104296	152.4
[M+Na]+	249.086238	158.7
[M-H]-	225.089744	151.4
[M+NH4]+	244.130843	171.3
[M+K]+	265.060178	160.4
[M+H-H2O]+	209.094280	145.2
[M+HCOO]-	271.095221	179.6
[M+CH3COO]-	285.110871	190.5
[M+Na-2H]-	247.071686	154.8
[M]+	226.09647142	161.7
[M]-	226.09756858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe