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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.