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]+ 219.089476 146.4
[M+Na]+ 241.071418 152.3
[M-H]- 217.074924 146.5
[M+NH4]+ 236.116023 162.8
[M+K]+ 257.045358 150.3
[M+H-H2O]+ 201.079460 140.0
[M+HCOO]- 263.080401 157.3
[M+CH3COO]- 277.096051 186.4
[M+Na-2H]- 239.056866 147.1
[M]+ 218.08165142 144.8
[M]- 218.08274858 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.