CID 3032451

3730-54-9

Structural Information

Molecular Formula

C₁₀H₁₉O₆P

SMILES

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

InChI

InChI=1S/C10H19O6P/c1-5-14-10(12)9(8(4)11)17(13,15-6-2)16-7-3/h9H,5-7H2,1-4H3

InChIKey

MKJASEJKPLYLRF-UHFFFAOYSA-N

Compound name

ethyl 2-diethoxyphosphoryl-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 266.09192 Da
Monoisotopic Mass: 0.4
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]+	267.09920	159.6
[M+Na]+	289.08114	165.2
[M-H]-	265.08464	158.5
[M+NH4]+	284.12574	176.7
[M+K]+	305.05508	166.8
[M+H-H2O]+	249.08918	152.3
[M+HCOO]-	311.09012	184.9
[M+CH3COO]-	325.10577	197.6
[M+Na-2H]-	287.06659	159.1
[M]+	266.09137	168.4
[M]-	266.09247	168.4

Literature stripe

literature stripe

Patent stripe

patents stripe