CID 73860

Dimethyl diethyl pyrophosphate

Structural Information

Molecular Formula

C₆H₁₆O₇P₂

SMILES

CCOP(=O)(OCC)OP(=O)(OC)OC

InChI

InChI=1S/C6H16O7P2/c1-5-11-15(8,12-6-2)13-14(7,9-3)10-4/h5-6H2,1-4H3

InChIKey

BEZLAYYFGVADSA-UHFFFAOYSA-N

Compound name

diethoxyphosphoryl dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 262.03714 Da
Monoisotopic Mass: -0.3
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]+	263.044416	156.3
[M+Na]+	285.026358	163.4
[M-H]-	261.029864	154.5
[M+NH4]+	280.070963	167.6
[M+K]+	301.000298	166.0
[M+H-H2O]+	245.034400	147.2
[M+HCOO]-	307.035341	186.5
[M+CH3COO]-	321.050991	194.8
[M+Na-2H]-	283.011806	160.5
[M]+	262.03659142	168.5
[M]-	262.03768858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe