CID 24692860

1-(4-acetylpiperazin-1-yl)-2-chloropropan-1-one

Structural Information

Molecular Formula
C9H15ClN2O2
SMILES
CC(C(=O)N1CCN(CC1)C(=O)C)Cl
InChI
InChI=1S/C9H15ClN2O2/c1-7(10)9(14)12-5-3-11(4-6-12)8(2)13/h7H,3-6H2,1-2H3
InChIKey
UFAGWFAMJOKQMS-UHFFFAOYSA-N
Compound name
1-(4-acetylpiperazin-1-yl)-2-chloropropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0822 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08948 146.7
[M+Na]+ 241.07142 156.8
[M+NH4]+ 236.11602 153.3
[M+K]+ 257.04536 152.5
[M-H]- 217.07492 145.8
[M+Na-2H]- 239.05687 149.6
[M]+ 218.08165 147.7
[M]- 218.08275 147.7
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.