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
6
Annotation Hits

4
References

32629
Patents

228.11101 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 151.4
[M+Na]+ 251.10023 156.1
[M-H]- 227.10373 154.4
[M+NH4]+ 246.14483 169.9
[M+K]+ 267.07417 159.2
[M+H-H2O]+ 211.10827 145.2
[M+HCOO]- 273.10921 174.8
[M+CH3COO]- 287.12486 201.4
[M+Na-2H]- 249.08568 150.7
[M]+ 228.11046 155.3
[M]- 228.11156 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe