CID 10877172

Butyl methylphosphinate

Structural Information

Molecular Formula

C₅H₁₂O₂P

SMILES

CCCCO[P+](=O)C

InChI

InChI=1S/C5H12O2P/c1-3-4-5-7-8(2)6/h3-5H2,1-2H3/q+1

InChIKey

JUMDGYIOMFZJDX-UHFFFAOYSA-N

Compound name

butoxy-methyl-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 187
Patents: 135.0575 Da
Monoisotopic Mass: 0.8
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]+	136.064776	129.7
[M+Na]+	158.046718	137.3
[M-H]-	134.050224	129.5
[M+NH4]+	153.091323	152.2
[M+K]+	174.020658	132.5
[M+H-H2O]+	118.054760	126.1
[M+HCOO]-	180.055701	158.5
[M+CH3COO]-	194.071351	168.2
[M+Na-2H]-	156.032166	134.9
[M]+	135.05695142	132.7
[M]-	135.05804858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe