CID 535840

Ethylenediamine-n,n'-dipropionic acid dihydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O₄

SMILES

C(CNCCNCCC(=O)O)C(=O)O

InChI

InChI=1S/C8H16N2O4/c11-7(12)1-3-9-5-6-10-4-2-8(13)14/h9-10H,1-6H2,(H,11,12)(H,13,14)

InChIKey

SZUZWFXRVSNBOZ-UHFFFAOYSA-N

Compound name

3-[2-(2-carboxyethylamino)ethylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 858
Patents: 204.11101 Da
Monoisotopic Mass: -6.2
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]+	205.11829	145.5
[M+Na]+	227.10023	149.1
[M-H]-	203.10373	142.4
[M+NH4]+	222.14483	162.0
[M+K]+	243.07417	148.2
[M+H-H2O]+	187.10827	139.4
[M+HCOO]-	249.10921	166.9
[M+CH3COO]-	263.12486	186.2
[M+Na-2H]-	225.08568	148.4
[M]+	204.11046	145.0
[M]-	204.11156	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe