CID 12703

N,n-diethylacetamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CCN(CC)C(=O)C
InChI
InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
InChIKey
AJFDBNQQDYLMJN-UHFFFAOYSA-N
Compound name
N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

36539
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.8
[M+Na]+ 138.08894 131.5
[M-H]- 114.09244 126.7
[M+NH4]+ 133.13354 148.0
[M+K]+ 154.06288 133.0
[M+H-H2O]+ 98.096980 120.0
[M+HCOO]- 160.09792 149.6
[M+CH3COO]- 174.11357 176.8
[M+Na-2H]- 136.07439 130.1
[M]+ 115.09917 126.5
[M]- 115.10027 126.5
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