CID 11831018

7751-67-9

Structural Information

Molecular Formula

C₉H₁₉O₄P

SMILES

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

InChI

InChI=1S/C9H19O4P/c1-5-12-14(11,13-6-2)7-9(10)8(3)4/h8H,5-7H2,1-4H3

InChIKey

NQQHQWSRTXRJHH-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-3-methylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 222.1021 Da
Monoisotopic Mass: 1.0
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]+	223.10938	152.8
[M+Na]+	245.09132	158.9
[M-H]-	221.09482	151.7
[M+NH4]+	240.13592	171.8
[M+K]+	261.06526	159.7
[M+H-H2O]+	205.09936	145.8
[M+HCOO]-	267.10030	178.6
[M+CH3COO]-	281.11595	191.3
[M+Na-2H]-	243.07677	153.3
[M]+	222.10155	159.7
[M]-	222.10265	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe