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 146.4
[M+Na]+ 241.07142 152.3
[M-H]- 217.07492 146.5
[M+NH4]+ 236.11602 162.8
[M+K]+ 257.04536 150.3
[M+H-H2O]+ 201.07946 140.0
[M+HCOO]- 263.08040 157.3
[M+CH3COO]- 277.09605 186.4
[M+Na-2H]- 239.05687 147.1
[M]+ 218.08165 144.8
[M]- 218.08275 144.8
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.