CID 536138

137706-80-0

Structural Information

Molecular Formula

C₈H₁₄N₂O₃

SMILES

CC(=O)NCCN(C(=O)C)C(=O)C

InChI

InChI=1S/C8H14N2O3/c1-6(11)9-4-5-10(7(2)12)8(3)13/h4-5H2,1-3H3,(H,9,11)

InChIKey

HRSYISMFWLVXAQ-UHFFFAOYSA-N

Compound name

N-[2-(diacetylamino)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 186.10045 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]+	187.107726	142.1
[M+Na]+	209.089668	147.3
[M-H]-	185.093174	143.8
[M+NH4]+	204.134273	161.8
[M+K]+	225.063608	149.0
[M+H-H2O]+	169.097710	136.2
[M+HCOO]-	231.098651	166.2
[M+CH3COO]-	245.114301	190.4
[M+Na-2H]-	207.075116	144.0
[M]+	186.09990142	143.8
[M]-	186.10099858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe