CID 12263

Diacetamide

Structural Information

Molecular Formula
C4H7NO2
SMILES
CC(=O)NC(=O)C
InChI
InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)
InChIKey
ZSBDPRIWBYHIAF-UHFFFAOYSA-N
Compound name
N-acetylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

6158
Patents

101.047676 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 117.8
[M+Na]+ 124.03689 125.3
[M-H]- 100.04040 118.7
[M+NH4]+ 119.08150 140.8
[M+K]+ 140.01083 126.2
[M+H-H2O]+ 84.044936 113.5
[M+HCOO]- 146.04588 142.2
[M+CH3COO]- 160.06153 168.3
[M+Na-2H]- 122.02234 123.7
[M]+ 101.04713 117.6
[M]- 101.04822 117.6
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