CID 23618221

2-chloro-n-ethyl-3-oxobutanamide

Structural Information

Molecular Formula
C6H10ClNO2
SMILES
CCNC(=O)C(C(=O)C)Cl
InChI
InChI=1S/C6H10ClNO2/c1-3-8-6(10)5(7)4(2)9/h5H,3H2,1-2H3,(H,8,10)
InChIKey
JFSWYPKLWHGUDT-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.04001 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04729 132.6
[M+Na]+ 186.02923 139.7
[M-H]- 162.03273 133.0
[M+NH4]+ 181.07383 153.8
[M+K]+ 202.00317 138.3
[M+H-H2O]+ 146.03727 128.9
[M+HCOO]- 208.03821 150.9
[M+CH3COO]- 222.05386 179.8
[M+Na-2H]- 184.01468 135.7
[M]+ 163.03946 134.4
[M]- 163.04056 134.4
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.