CID 61975

Ethylenediamine-n,n'-diacetic acid

Structural Information

Molecular Formula

C₆H₁₂N₂O₄

SMILES

C(CNCC(=O)O)NCC(=O)O

InChI

InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)

InChIKey

IFQUWYZCAGRUJN-UHFFFAOYSA-N

Compound name

2-[2-(carboxymethylamino)ethylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 142
References: 12769
Patents: 176.07971 Da
Monoisotopic Mass: -6.0
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]+	177.08699	136.6
[M+Na]+	199.06893	141.0
[M-H]-	175.07243	133.9
[M+NH4]+	194.11353	154.2
[M+K]+	215.04287	140.6
[M+H-H2O]+	159.07697	130.8
[M+HCOO]-	221.07791	158.6
[M+CH3COO]-	235.09356	180.1
[M+Na-2H]-	197.05438	140.5
[M]+	176.07916	135.3
[M]-	176.08026	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe