CID 10103830

Schembl14210022

Structural Information

Molecular Formula

C₄H₁₀NO₅P

SMILES

CNC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C4H10NO5P/c1-5-3(4(6)7)2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)

InChIKey

FHDFQBMDFQAPIV-UHFFFAOYSA-N

Compound name

2-(methylamino)-3-phosphonopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 183.02966 Da
Monoisotopic Mass: -4.7
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]+	184.03694	138.5
[M+Na]+	206.01888	144.0
[M-H]-	182.02238	133.7
[M+NH4]+	201.06348	156.1
[M+K]+	221.99282	143.9
[M+H-H2O]+	166.02692	132.0
[M+HCOO]-	228.02786	162.4
[M+CH3COO]-	242.04351	175.9
[M+Na-2H]-	204.00433	140.1
[M]+	183.02911	137.9
[M]-	183.03021	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe