CID 12924868

50350-99-7

Structural Information

Molecular Formula

C₉H₁₉O₅P

SMILES

CCOP(=O)(CC(=O)OC(C)C)OCC

InChI

InChI=1S/C9H19O5P/c1-5-12-15(11,13-6-2)7-9(10)14-8(3)4/h8H,5-7H2,1-4H3

InChIKey

SWGMKWQNFIOGDY-UHFFFAOYSA-N

Compound name

propan-2-yl 2-diethoxyphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 238.09702 Da
Monoisotopic Mass: 0.9
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]+	239.10430	153.5
[M+Na]+	261.08624	160.4
[M+NH4]+	256.13084	158.0
[M+K]+	277.06018	158.2
[M-H]-	237.08974	149.4
[M+Na-2H]-	259.07169	153.6
[M]+	238.09647	152.8
[M]-	238.09757	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe