CID 272986

13138-36-8

Structural Information

Molecular Formula

C₄H₁₂NO₃P

SMILES

CCCC(N)P(=O)(O)O

InChI

InChI=1S/C4H12NO3P/c1-2-3-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)

InChIKey

UAEPDDGDPAPPHZ-UHFFFAOYSA-N

Compound name

1-aminobutylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 269
Patents: 153.05548 Da
Monoisotopic Mass: -3.4
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]+	154.062756	135.5
[M+Na]+	176.044698	141.7
[M-H]-	152.048204	131.6
[M+NH4]+	171.089303	155.2
[M+K]+	192.018638	141.1
[M+H-H2O]+	136.052740	129.2
[M+HCOO]-	198.053681	160.7
[M+CH3COO]-	212.069331	173.3
[M+Na-2H]-	174.030146	137.3
[M]+	153.05493142	134.4
[M]-	153.05602858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe