CID 314825

13676-06-7

Structural Information

Molecular Formula

C₁₀H₂₁O₆P

SMILES

CCOC(C(=O)OCC)P(=O)(OCC)OCC

InChI

InChI=1S/C10H21O6P/c1-5-13-9(11)10(14-6-2)17(12,15-7-3)16-8-4/h10H,5-8H2,1-4H3

InChIKey

VKIWONMJPOTZNB-UHFFFAOYSA-N

Compound name

ethyl 2-diethoxyphosphoryl-2-ethoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 268.10757 Da
Monoisotopic Mass: 0.8
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]+	269.11485	162.1
[M+Na]+	291.09679	167.6
[M-H]-	267.10029	160.8
[M+NH4]+	286.14139	179.2
[M+K]+	307.07073	169.3
[M+H-H2O]+	251.10483	154.5
[M+HCOO]-	313.10577	188.1
[M+CH3COO]-	327.12142	197.7
[M+Na-2H]-	289.08224	162.6
[M]+	268.10702	172.2
[M]-	268.10812	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe