CID 264991

N-diethoxyphosphorylethanamine

Structural Information

Molecular Formula

C₆H₁₆NO₃P

SMILES

CCNP(=O)(OCC)OCC

InChI

InChI=1S/C6H16NO3P/c1-4-7-11(8,9-5-2)10-6-3/h4-6H2,1-3H3,(H,7,8)

InChIKey

GLBKTDWFAKSVGS-UHFFFAOYSA-N

Compound name

N-diethoxyphosphorylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 101
Patents: 181.08678 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]+	182.09406	142.0
[M+Na]+	204.07600	148.5
[M-H]-	180.07950	141.1
[M+NH4]+	199.12060	162.5
[M+K]+	220.04994	149.1
[M+H-H2O]+	164.08404	134.9
[M+HCOO]-	226.08498	171.3
[M+CH3COO]-	240.10063	184.4
[M+Na-2H]-	202.06145	146.4
[M]+	181.08623	147.3
[M]-	181.08733	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe