CID 85915

Butanamide, 2-chloro-n,n-diethyl-3-oxo-

Structural Information

Molecular Formula
C8H14ClNO2
SMILES
CCN(CC)C(=O)C(C(=O)C)Cl
InChI
InChI=1S/C8H14ClNO2/c1-4-10(5-2)8(12)7(9)6(3)11/h7H,4-5H2,1-3H3
InChIKey
SEWWCLPPLUYJOT-UHFFFAOYSA-N
Compound name
2-chloro-N,N-diethyl-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

191.0713 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07858 141.0
[M+Na]+ 214.06052 147.5
[M-H]- 190.06402 142.7
[M+NH4]+ 209.10512 161.8
[M+K]+ 230.03446 147.0
[M+H-H2O]+ 174.06856 136.9
[M+HCOO]- 236.06950 159.2
[M+CH3COO]- 250.08515 189.4
[M+Na-2H]- 212.04597 142.5
[M]+ 191.07075 145.0
[M]- 191.07185 145.0
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