CID 14593820

Dimethyl butylphosphonate

Structural Information

Molecular Formula

C₆H₁₅O₃P

SMILES

CCCCP(=O)(OC)OC

InChI

InChI=1S/C6H15O3P/c1-4-5-6-10(7,8-2)9-3/h4-6H2,1-3H3

InChIKey

VGZFGWCRKIHMDM-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 166.07588 Da
Monoisotopic Mass: 0.7
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]+	167.08316	138.2
[M+Na]+	189.06510	145.7
[M-H]-	165.06860	137.5
[M+NH4]+	184.10970	159.7
[M+K]+	205.03904	146.4
[M+H-H2O]+	149.07314	131.7
[M+HCOO]-	211.07408	166.5
[M+CH3COO]-	225.08973	179.6
[M+Na-2H]-	187.05055	142.4
[M]+	166.07533	144.5
[M]-	166.07643	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe