CID 818173

2-chloro-1-(4-methylpiperazin-1-yl)ethanone

Structural Information

Molecular Formula
C7H13ClN2O
SMILES
CN1CCN(CC1)C(=O)CCl
InChI
InChI=1S/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3
InChIKey
OTHMDVZIZBUTIE-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

197
Patents

176.07164 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07892 136.4
[M+Na]+ 199.06086 148.0
[M+NH4]+ 194.10546 144.4
[M+K]+ 215.03480 142.0
[M-H]- 175.06436 136.7
[M+Na-2H]- 197.04631 141.0
[M]+ 176.07109 138.1
[M]- 176.07219 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe