CID 5272049

Chembl118238

Structural Information

Molecular Formula

C₆H₁₅O₃P

SMILES

CCCCP(=O)(O)OCC

InChI

InChI=1S/C6H15O3P/c1-3-5-6-10(7,8)9-4-2/h3-6H2,1-2H3,(H,7,8)

InChIKey

RDKFCARAWNLFDR-UHFFFAOYSA-N

Compound name

butyl(ethoxy)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 52
Patents: 166.07588 Da
Monoisotopic Mass: 0.6
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	139.5
[M+Na]+	189.06510	146.6
[M-H]-	165.06860	137.3
[M+NH4]+	184.10970	160.3
[M+K]+	205.03904	146.3
[M+H-H2O]+	149.07314	133.2
[M+HCOO]-	211.07408	166.3
[M+CH3COO]-	225.08973	176.9
[M+Na-2H]-	187.05055	143.1
[M]+	166.07533	143.8
[M]-	166.07643	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe