CID 66347

Tetraacetylethylenediamine

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₄

SMILES

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

InChI

InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3

InChIKey

BGRWYDHXPHLNKA-UHFFFAOYSA-N

Compound name

N-acetyl-N-[2-(diacetylamino)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 31686
Patents: 228.11101 Da
Monoisotopic Mass: -1.2
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]+	229.11829	152.2
[M+Na]+	251.10023	157.8
[M+NH4]+	246.14483	156.5
[M+K]+	267.07417	156.8
[M-H]-	227.10373	149.8
[M+Na-2H]-	249.08568	152.4
[M]+	228.11046	151.6
[M]-	228.11156	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe