CID 6335398

Isobutyl methylphosphinate

Structural Information

Molecular Formula

C₅H₁₂O₂P

SMILES

CC(C)CO[P+](=O)C

InChI

InChI=1S/C5H12O2P/c1-5(2)4-7-8(3)6/h5H,4H2,1-3H3/q+1

InChIKey

SSERIKVKSQWTAS-UHFFFAOYSA-N

Compound name

methyl-(2-methylpropoxy)-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 135.0575 Da
Monoisotopic Mass: 0.9
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	129.5
[M+Na]+	158.046718	136.9
[M-H]-	134.050224	129.4
[M+NH4]+	153.091323	151.9
[M+K]+	174.020658	132.6
[M+H-H2O]+	118.054760	126.1
[M+HCOO]-	180.055701	157.4
[M+CH3COO]-	194.071351	168.9
[M+Na-2H]-	156.032166	133.5
[M]+	135.05695142	131.9
[M]-	135.05804858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe