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: 14
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]+	263.04442	154.4
[M+Na]+	285.02636	160.4
[M+NH4]+	280.07096	157.6
[M+K]+	301.00030	159.7
[M-H]-	261.02986	148.7
[M+Na-2H]-	283.01181	154.1
[M]+	262.03659	153.0
[M]-	262.03769	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe