CID 78580

Nitrilotriacetamide

Structural Information

Molecular Formula

C₆H₁₂N₄O₃

SMILES

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

InChI

InChI=1S/C6H12N4O3/c7-4(11)1-10(2-5(8)12)3-6(9)13/h1-3H2,(H2,7,11)(H2,8,12)(H2,9,13)

InChIKey

CVTGEDNIBVTKBJ-UHFFFAOYSA-N

Compound name

2-[bis(2-amino-2-oxoethyl)amino]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 129
Patents: 188.09094 Da
Monoisotopic Mass: -2.9
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]+	189.09822	140.5
[M+Na]+	211.08016	144.4
[M-H]-	187.08366	140.6
[M+NH4]+	206.12476	158.0
[M+K]+	227.05410	145.8
[M+H-H2O]+	171.08820	133.4
[M+HCOO]-	233.08914	165.1
[M+CH3COO]-	247.10479	195.3
[M+Na-2H]-	209.06561	140.6
[M]+	188.09039	136.8
[M]-	188.09149	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe