CID 99750

74038-47-4

Structural Information

Molecular Formula

C₈H₁₉O₄P

SMILES

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

InChI

InChI=1S/C8H19O4P/c1-5-11-13(10,12-6-2)8(9)7(3)4/h7-9H,5-6H2,1-4H3

InChIKey

MHCIATHWPPJEEC-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 210.1021 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]+	211.109376	151.2
[M+Na]+	233.091318	156.9
[M-H]-	209.094824	148.8
[M+NH4]+	228.135923	170.0
[M+K]+	249.065258	157.6
[M+H-H2O]+	193.099360	144.5
[M+HCOO]-	255.100301	175.6
[M+CH3COO]-	269.115951	186.6
[M+Na-2H]-	231.076766	151.5
[M]+	210.10155142	156.4
[M]-	210.10264858	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe