CID 15764431

1604-38-2

Structural Information

Molecular Formula

C₅H₁₃O₃P

SMILES

CC(C)COP(=O)(C)O

InChI

InChI=1S/C5H13O3P/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3,(H,6,7)

InChIKey

ZNGLGLXWTVMUCL-UHFFFAOYSA-N

Compound name

methyl(2-methylpropoxy)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 172
Patents: 152.06023 Da
Monoisotopic Mass: 0.3
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]+	153.06751	134.5
[M+Na]+	175.04945	141.8
[M-H]-	151.05295	132.7
[M+NH4]+	170.09405	155.8
[M+K]+	191.02339	142.3
[M+H-H2O]+	135.05749	128.6
[M+HCOO]-	197.05843	160.7
[M+CH3COO]-	211.07408	174.6
[M+Na-2H]-	173.03490	137.5
[M]+	152.05968	137.8
[M]-	152.06078	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe