CID 88478198

(2-acetamidoethyl)phosphonate

Structural Information

Molecular Formula

C₄H₁₀NO₄P

SMILES

CC(=O)NCCP(=O)(O)O

InChI

InChI=1S/C4H10NO4P/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)

InChIKey

ACVGHZIZZPJLSQ-UHFFFAOYSA-N

Compound name

2-acetamidoethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 167.03474 Da
Monoisotopic Mass: -2.3
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	135.6
[M+Na]+	190.023958	142.1
[M-H]-	166.027464	132.3
[M+NH4]+	185.068563	155.0
[M+K]+	205.997898	141.8
[M+H-H2O]+	150.032000	129.2
[M+HCOO]-	212.032941	161.9
[M+CH3COO]-	226.048591	174.4
[M+Na-2H]-	188.009406	138.8
[M]+	167.03419142	136.2
[M]-	167.03528858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe