CID 364162

Nsc629862

Structural Information

Molecular Formula

C₉H₁₇O₅P

SMILES

CCOP(=O)(C1CCCOC1=O)OCC

InChI

InChI=1S/C9H17O5P/c1-3-13-15(11,14-4-2)8-6-5-7-12-9(8)10/h8H,3-7H2,1-2H3

InChIKey

WYXBTGCFOPOZLW-UHFFFAOYSA-N

Compound name

3-diethoxyphosphoryloxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.08136 Da
Monoisotopic Mass: 0.6
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]+	237.08864	151.6
[M+Na]+	259.07058	157.1
[M-H]-	235.07408	154.0
[M+NH4]+	254.11518	168.5
[M+K]+	275.04452	158.5
[M+H-H2O]+	219.07862	143.7
[M+HCOO]-	281.07956	176.0
[M+CH3COO]-	295.09521	189.5
[M+Na-2H]-	257.05603	154.8
[M]+	236.08081	155.1
[M]-	236.08191	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe