CID 66191

N,n-diethylpropionamide

Structural Information

Molecular Formula
C7H15NO
SMILES
CCC(=O)N(CC)CC
InChI
InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
InChIKey
YKOQQFDCCBKROY-UHFFFAOYSA-N
Compound name
N,N-diethylpropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3102
Patents

129.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.5
[M+Na]+ 152.10459 135.8
[M-H]- 128.10809 131.3
[M+NH4]+ 147.14919 152.2
[M+K]+ 168.07853 137.1
[M+H-H2O]+ 112.11263 124.5
[M+HCOO]- 174.11357 154.0
[M+CH3COO]- 188.12922 179.8
[M+Na-2H]- 150.09004 134.3
[M]+ 129.11482 131.7
[M]- 129.11592 131.7
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