CID 566101

Diisobutyl methylphosphonate

Structural Information

Molecular Formula

C₉H₂₁O₃P

SMILES

CC(C)COP(=O)(C)OCC(C)C

InChI

InChI=1S/C9H21O3P/c1-8(2)6-11-13(5,10)12-7-9(3)4/h8-9H,6-7H2,1-5H3

InChIKey

IGNFYWATZHBYFJ-UHFFFAOYSA-N

Compound name

2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 33
Patents: 208.12283 Da
Monoisotopic Mass: 2.1
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]+	209.130106	152.3
[M+Na]+	231.112048	158.1
[M-H]-	207.115554	151.2
[M+NH4]+	226.156653	172.0
[M+K]+	247.085988	159.0
[M+H-H2O]+	191.120090	145.4
[M+HCOO]-	253.121031	177.7
[M+CH3COO]-	267.136681	190.3
[M+Na-2H]-	229.097496	152.5
[M]+	208.12228142	158.4
[M]-	208.12337858	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe