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

1894
Patents

144.08987 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.5
[M+Na]+ 167.079088 137.2
[M-H]- 143.082594 131.9
[M+NH4]+ 162.123693 152.3
[M+K]+ 183.053028 137.6
[M+H-H2O]+ 127.087130 126.1
[M+HCOO]- 189.088071 156.2
[M+CH3COO]- 203.103721 179.4
[M+Na-2H]- 165.064536 136.4
[M]+ 144.08932142 131.1
[M]- 144.09041858 131.1
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