CID 1726

4-aminobutylphosphonic acid

Structural Information

Molecular Formula

C₄H₁₂NO₃P

SMILES

C(CCP(=O)(O)O)CN

InChI

InChI=1S/C4H12NO3P/c5-3-1-2-4-9(6,7)8/h1-5H2,(H2,6,7,8)

InChIKey

IDPXFPYGZRMMKZ-UHFFFAOYSA-N

Compound name

4-aminobutylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 203
Patents: 153.05548 Da
Monoisotopic Mass: -4.1
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]+	154.06276	132.6
[M+Na]+	176.04470	139.3
[M+NH4]+	171.08930	138.1
[M+K]+	192.01864	136.8
[M-H]-	152.04820	129.3
[M+Na-2H]-	174.03015	133.5
[M]+	153.05493	132.0
[M]-	153.05603	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe