CID 66839

99-69-4

Structural Information

Molecular Formula

C₆H₁₀N₂O₆

SMILES

C(CN(CCC(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C6H10N2O6/c9-5(10)1-3-7(8(13)14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)

InChIKey

MXPYFZODOSRODU-UHFFFAOYSA-N

Compound name

3-[2-carboxyethyl(nitro)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 206.05388 Da
Monoisotopic Mass: -0.4
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]+	207.06116	140.1
[M+Na]+	229.04310	146.6
[M+NH4]+	224.08770	144.1
[M+K]+	245.01704	148.3
[M-H]-	205.04660	137.5
[M+Na-2H]-	227.02855	140.0
[M]+	206.05333	139.4
[M]-	206.05443	139.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.