CID 214263

Betamide

Structural Information

Molecular Formula

C₅H₁₃N₂O₄PS

SMILES

C(CNCCSP(=O)(O)O)C(=O)N

InChI

InChI=1S/C5H13N2O4PS/c6-5(8)1-2-7-3-4-13-12(9,10)11/h7H,1-4H2,(H2,6,8)(H2,9,10,11)

InChIKey

MQAISPIJGUNNSJ-UHFFFAOYSA-N

Compound name

2-[(3-amino-3-oxopropyl)amino]ethylsulfanylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 228.03337 Da
Monoisotopic Mass: -5.0
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]+	229.04065	148.3
[M+Na]+	251.02259	151.9
[M+NH4]+	246.06719	152.2
[M+K]+	266.99653	149.0
[M-H]-	227.02609	144.2
[M+Na-2H]-	249.00804	147.0
[M]+	228.03282	147.2
[M]-	228.03392	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe