CID 162204

66508-32-5

Structural Information

Molecular Formula

C₅H₁₂NO₅P

SMILES

CC(=O)N(CCCP(=O)(O)O)O

InChI

InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)

InChIKey

PKMNDDZSIHLLLI-UHFFFAOYSA-N

Compound name

3-[acetyl(hydroxy)amino]propylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 54
References: 92
Patents: 197.0453 Da
Monoisotopic Mass: -2.2
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]+	198.05258	142.0
[M+Na]+	220.03452	147.2
[M+NH4]+	215.07912	145.7
[M+K]+	236.00846	146.9
[M-H]-	196.03802	137.0
[M+Na-2H]-	218.01997	141.3
[M]+	197.04475	140.5
[M]-	197.04585	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe