CID 573521

Dimethyl 1-hydroxybutylphosphonate

Structural Information

Molecular Formula

C₆H₁₅O₄P

SMILES

CCCC(O)P(=O)(OC)OC

InChI

InChI=1S/C6H15O4P/c1-4-5-6(7)11(8,9-2)10-3/h6-7H,4-5H2,1-3H3

InChIKey

PHJZUYURNWKKMA-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 182.0708 Da
Monoisotopic Mass: 0.2
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]+	183.078076	141.8
[M+Na]+	205.060018	148.6
[M-H]-	181.063524	139.7
[M+NH4]+	200.104623	161.8
[M+K]+	221.033958	149.3
[M+H-H2O]+	165.068060	135.4
[M+HCOO]-	227.069001	167.8
[M+CH3COO]-	241.084651	179.7
[M+Na-2H]-	203.045466	144.4
[M]+	182.07025142	146.9
[M]-	182.07134858	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe