CID 11816380

3986-95-6

Structural Information

Molecular Formula

C₇H₁₅O₄P

SMILES

CCOP(=O)(CCC=O)OCC

InChI

InChI=1S/C7H15O4P/c1-3-10-12(9,11-4-2)7-5-6-8/h6H,3-5,7H2,1-2H3

InChIKey

FUBLLKKWKHVTTK-UHFFFAOYSA-N

Compound name

3-diethoxyphosphorylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 194.0708 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]+	195.07808	143.6
[M+Na]+	217.06002	150.9
[M-H]-	193.06352	142.7
[M+NH4]+	212.10462	163.8
[M+K]+	233.03396	151.2
[M+H-H2O]+	177.06806	136.7
[M+HCOO]-	239.06900	172.0
[M+CH3COO]-	253.08465	183.7
[M+Na-2H]-	215.04547	147.5
[M]+	194.07025	151.0
[M]-	194.07135	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe