CID 13773612

112392-53-7

Structural Information

Molecular Formula

C₄H₁₀NO₄P

SMILES

C[C@H](C(=O)CP(=O)(O)O)N

InChI

InChI=1S/C4H10NO4P/c1-3(5)4(6)2-10(7,8)9/h3H,2,5H2,1H3,(H2,7,8,9)/t3-/m1/s1

InChIKey

YCWGDQFWWLSCRS-GSVOUGTGSA-N

Compound name

[(3R)-3-amino-2-oxobutyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 167.03474 Da
Monoisotopic Mass: -4.6
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]+	168.042016	136.0
[M+Na]+	190.023958	142.2
[M-H]-	166.027464	132.2
[M+NH4]+	185.068563	154.9
[M+K]+	205.997898	142.0
[M+H-H2O]+	150.032000	129.6
[M+HCOO]-	212.032941	160.6
[M+CH3COO]-	226.048591	175.4
[M+Na-2H]-	188.009406	136.8
[M]+	167.03419142	134.9
[M]-	167.03528858	134.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.