CID 69942

814-16-4

Structural Information

Molecular Formula

C₁₀H₂₁O₄P

SMILES

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

InChI

InChI=1S/C10H21O4P/c1-6-13-15(12,14-7-2)8-9(11)10(3,4)5/h6-8H2,1-5H3

InChIKey

LOUZJUCIRJMGHZ-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-3,3-dimethylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 236.11775 Da
Monoisotopic Mass: 1.4
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]+	237.12503	157.5
[M+Na]+	259.10697	163.9
[M-H]-	235.11047	156.6
[M+NH4]+	254.15157	176.3
[M+K]+	275.08091	164.5
[M+H-H2O]+	219.11501	151.0
[M+HCOO]-	281.11595	182.5
[M+CH3COO]-	295.13160	193.2
[M+Na-2H]-	257.09242	160.0
[M]+	236.11720	164.9
[M]-	236.11830	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe