CID 75661

Dimethyl (3-amino-3-oxopropyl)phosphonate

Structural Information

Molecular Formula

C₅H₁₂NO₄P

SMILES

COP(=O)(CCC(=O)N)OC

InChI

InChI=1S/C5H12NO4P/c1-9-11(8,10-2)4-3-5(6)7/h3-4H2,1-2H3,(H2,6,7)

InChIKey

LSCSYJWMZUCJDW-UHFFFAOYSA-N

Compound name

3-dimethoxyphosphorylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 181.0504 Da
Monoisotopic Mass: -1.7
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]+	182.05768	138.4
[M+Na]+	204.03962	145.3
[M-H]-	180.04312	137.2
[M+NH4]+	199.08422	158.3
[M+K]+	220.01356	146.2
[M+H-H2O]+	164.04766	131.4
[M+HCOO]-	226.04860	166.8
[M+CH3COO]-	240.06425	182.6
[M+Na-2H]-	202.02507	141.2
[M]+	181.04985	142.3
[M]-	181.05095	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe