CID 41046

2-chloro-n,n-diethylpropanamide

Structural Information

Molecular Formula
C7H14ClNO
SMILES
CCN(CC)C(=O)C(C)Cl
InChI
InChI=1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3
InChIKey
WORKHWHULFDZDE-UHFFFAOYSA-N
Compound name
2-chloro-N,N-diethylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

163.07639 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08367 134.5
[M+Na]+ 186.06561 144.5
[M+NH4]+ 181.11021 142.7
[M+K]+ 202.03955 139.5
[M-H]- 162.06911 134.5
[M+Na-2H]- 184.05106 138.2
[M]+ 163.07584 136.0
[M]- 163.07694 136.0
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