CID 70097

N,n'-diacetylethylenediamine

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

CC(=O)NCCNC(=O)C

InChI

InChI=1S/C6H12N2O2/c1-5(9)7-3-4-8-6(2)10/h3-4H2,1-2H3,(H,7,9)(H,8,10)

InChIKey

WNYIBZHOMJZDKN-UHFFFAOYSA-N

Compound name

N-(2-acetamidoethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1863
Patents: 144.08987 Da
Monoisotopic Mass: -1.1
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]+	145.09715	131.8
[M+Na]+	167.07909	139.3
[M+NH4]+	162.12369	138.2
[M+K]+	183.05303	135.6
[M-H]-	143.08259	130.9
[M+Na-2H]-	165.06454	134.3
[M]+	144.08932	132.0
[M]-	144.09042	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe