CID 2733596

Diethyl (2-aminoethyl)phosphonate

Structural Information

Molecular Formula

C₆H₁₆NO₃P

SMILES

CCOP(=O)(CCN)OCC

InChI

InChI=1S/C6H16NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-7H2,1-2H3

InChIKey

JUAGHBASZWRMQH-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 475
Patents: 181.08678 Da
Monoisotopic Mass: -0.7
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]+	182.09406	142.5
[M+Na]+	204.07600	149.0
[M-H]-	180.07950	141.1
[M+NH4]+	199.12060	162.7
[M+K]+	220.04994	149.3
[M+H-H2O]+	164.08404	135.4
[M+HCOO]-	226.08498	171.2
[M+CH3COO]-	240.10063	183.8
[M+Na-2H]-	202.06145	145.8
[M]+	181.08623	146.8
[M]-	181.08733	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe