CID 3020546

85204-36-0

Structural Information

Molecular Formula

C₅H₁₂NO₄P

SMILES

C(CP(=O)(CO)CO)C(=O)N

InChI

InChI=1S/C5H12NO4P/c6-5(9)1-2-11(10,3-7)4-8/h7-8H,1-4H2,(H2,6,9)

InChIKey

YPMWAJHCYPIGOG-UHFFFAOYSA-N

Compound name

3-[bis(hydroxymethyl)phosphoryl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.0504 Da
Monoisotopic Mass: -2.9
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]+	182.057676	140.7
[M+Na]+	204.039618	146.6
[M-H]-	180.043124	136.5
[M+NH4]+	199.084223	159.1
[M+K]+	220.013558	145.7
[M+H-H2O]+	164.047660	134.0
[M+HCOO]-	226.048601	165.9
[M+CH3COO]-	240.064251	177.6
[M+Na-2H]-	202.025066	142.2
[M]+	181.04985142	140.6
[M]-	181.05094858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.