CID 107699

Cgp 35348

Structural Information

Molecular Formula

C₈H₂₀NO₄P

SMILES

CCOC(OCC)P(=O)(CCCN)O

InChI

InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)

InChIKey

QIIVUOWTHWIXFO-UHFFFAOYSA-N

Compound name

3-aminopropyl(diethoxymethyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 385
References: 235
Patents: 225.11299 Da
Monoisotopic Mass: -3.3
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]+	226.120266	155.4
[M+Na]+	248.102208	160.3
[M-H]-	224.105714	152.2
[M+NH4]+	243.146813	172.9
[M+K]+	264.076148	160.2
[M+H-H2O]+	208.110250	147.9
[M+HCOO]-	270.111191	181.1
[M+CH3COO]-	284.126841	190.2
[M+Na-2H]-	246.087656	156.0
[M]+	225.11244142	159.2
[M]-	225.11353858	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe