CID 82071

7598-61-0

Structural Information

Molecular Formula

C₁₀H₂₃O₅P

SMILES

CCOC(CP(=O)(OCC)OCC)OCC

InChI

InChI=1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3

InChIKey

LUQYELQXRPNKRY-UHFFFAOYSA-N

Compound name

2-diethoxyphosphoryl-1,1-diethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 178
Patents: 254.12831 Da
Monoisotopic Mass: 0.7
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]+	255.13559	158.8
[M+Na]+	277.11753	165.7
[M+NH4]+	272.16213	163.4
[M+K]+	293.09147	162.5
[M-H]-	253.12103	155.0
[M+Na-2H]-	275.10298	159.0
[M]+	254.12776	158.2
[M]-	254.12886	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe