CID 11332798

4-(2-chloroacetyl)piperazin-2-one

Structural Information

Molecular Formula
C6H9ClN2O2
SMILES
C1CN(CC(=O)N1)C(=O)CCl
InChI
InChI=1S/C6H9ClN2O2/c7-3-6(11)9-2-1-8-5(10)4-9/h1-4H2,(H,8,10)
InChIKey
QVVYHRBAOTZFOZ-UHFFFAOYSA-N
Compound name
4-(2-chloroacetyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

176.03525 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04253 134.5
[M+Na]+ 199.02447 141.7
[M-H]- 175.02797 133.4
[M+NH4]+ 194.06907 151.9
[M+K]+ 214.99841 138.5
[M+H-H2O]+ 159.03251 128.6
[M+HCOO]- 221.03345 146.8
[M+CH3COO]- 235.04910 173.6
[M+Na-2H]- 197.00992 138.5
[M]+ 176.03470 131.1
[M]- 176.03580 131.1
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