CID 76847

3328-33-4

Structural Information

Molecular Formula

C₆H₁₄O₇P₂

SMILES

COP(=O)(C(=C)OP(=O)(OC)OC)OC

InChI

InChI=1S/C6H14O7P2/c1-6(14(7,9-2)10-3)13-15(8,11-4)12-5/h1H2,2-5H3

InChIKey

XOKPUBSZNXLEBS-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylethenyl dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.02148 Da
Monoisotopic Mass: -0.4
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]+	261.02876	153.6
[M+Na]+	283.01070	160.7
[M-H]-	259.01420	151.9
[M+NH4]+	278.05530	167.2
[M+K]+	298.98464	163.2
[M+H-H2O]+	243.01874	144.7
[M+HCOO]-	305.01968	182.6
[M+CH3COO]-	319.03533	194.5
[M+Na-2H]-	280.99615	156.7
[M]+	260.02093	164.5
[M]-	260.02203	164.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.