CID 201151

Phosphonic acid, methyl-, methyl ester, anhydride with dimethyl phosphate

Structural Information

Molecular Formula

C₄H₁₂O₆P₂

SMILES

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

InChI

InChI=1S/C4H12O6P2/c1-7-11(4,5)10-12(6,8-2)9-3/h1-4H3

InChIKey

AOENPUYWBQWXDF-UHFFFAOYSA-N

Compound name

[methoxy(methyl)phosphoryl] dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.01091 Da
Monoisotopic Mass: -1.1
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]+	219.018186	144.9
[M+Na]+	241.000128	153.0
[M-H]-	217.003634	143.5
[M+NH4]+	236.044733	164.6
[M+K]+	256.974068	155.5
[M+H-H2O]+	201.008170	136.4
[M+HCOO]-	263.009111	178.2
[M+CH3COO]-	277.024761	186.6
[M+Na-2H]-	238.985576	149.6
[M]+	218.01036142	155.0
[M]-	218.01145858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe