CID 2050526

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

Structural Information

Molecular Formula
C8H13ClN2O2
SMILES
CC(=O)N1CCN(CC1)C(=O)CCl
InChI
InChI=1S/C8H13ClN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3
InChIKey
MPFZOVHTXAHCRJ-UHFFFAOYSA-N
Compound name
1-(4-acetylpiperazin-1-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

204.06656 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07384 142.6
[M+Na]+ 227.05578 149.1
[M-H]- 203.05928 142.7
[M+NH4]+ 222.10038 159.6
[M+K]+ 243.02972 146.9
[M+H-H2O]+ 187.06382 136.2
[M+HCOO]- 249.06476 154.8
[M+CH3COO]- 263.08041 182.4
[M+Na-2H]- 225.04123 144.9
[M]+ 204.06601 141.1
[M]- 204.06711 141.1
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

patents stripe