CID 12253

N-ethylacetamide

Structural Information

Molecular Formula
C4H9NO
SMILES
CCNC(=O)C
InChI
InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
InChIKey
PMDCZENCAXMSOU-UHFFFAOYSA-N
Compound name
N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

21564
Patents

87.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.9
[M+Na]+ 110.05763 123.3
[M-H]- 86.061134 116.7
[M+NH4]+ 105.10223 139.6
[M+K]+ 126.03157 123.9
[M+H-H2O]+ 70.065670 111.7
[M+HCOO]- 132.06661 140.9
[M+CH3COO]- 146.08226 167.0
[M+Na-2H]- 108.04308 123.1
[M]+ 87.067861 115.6
[M]- 87.068959 115.6
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