CID 4107971

16141-79-0

Structural Information

Molecular Formula

C₈H₁₇O₆P

SMILES

CCOP(=O)(C(C(=O)OC)OC)OCC

InChI

InChI=1S/C8H17O6P/c1-5-13-15(10,14-6-2)8(12-4)7(9)11-3/h8H,5-6H2,1-4H3

InChIKey

ORDHSXIQNXYWNF-UHFFFAOYSA-N

Compound name

methyl 2-diethoxyphosphoryl-2-methoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 240.07628 Da
Monoisotopic Mass: 0.1
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]+	241.08356	152.4
[M+Na]+	263.06550	158.7
[M-H]-	239.06900	151.5
[M+NH4]+	258.11010	170.6
[M+K]+	279.03944	160.9
[M+H-H2O]+	223.07354	145.2
[M+HCOO]-	285.07448	179.1
[M+CH3COO]-	299.09013	191.7
[M+Na-2H]-	261.05095	154.0
[M]+	240.07573	161.7
[M]-	240.07683	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe