CID 425415

164462-16-2

Structural Information

Molecular Formula

C₇H₁₁NO₆

SMILES

CC(C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C7H11NO6/c1-4(7(13)14)8(2-5(9)10)3-6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)

InChIKey

CIEZZGWIJBXOTE-UHFFFAOYSA-N

Compound name

2-[bis(carboxymethyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 24516
Patents: 205.05864 Da
Monoisotopic Mass: -2.8
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]+	206.06592	142.8
[M+Na]+	228.04786	147.2
[M+NH4]+	223.09246	145.7
[M+K]+	244.02180	148.2
[M-H]-	204.05136	137.4
[M+Na-2H]-	226.03331	141.1
[M]+	205.05809	140.9
[M]-	205.05919	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe