CID 2384549

4-(2-chloroacetyl)piperazine-1-carbaldehyde

Structural Information

Molecular Formula
C7H11ClN2O2
SMILES
C1CN(CCN1C=O)C(=O)CCl
InChI
InChI=1S/C7H11ClN2O2/c8-5-7(12)10-3-1-9(6-11)2-4-10/h6H,1-5H2
InChIKey
JNUUHIJMBNNNIV-UHFFFAOYSA-N
Compound name
4-(2-chloroacetyl)piperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.0509 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.058176 138.3
[M+Na]+ 213.040118 145.4
[M-H]- 189.043624 138.3
[M+NH4]+ 208.084723 155.8
[M+K]+ 229.014058 142.9
[M+H-H2O]+ 173.048160 131.8
[M+HCOO]- 235.049101 151.7
[M+CH3COO]- 249.064751 179.2
[M+Na-2H]- 211.025566 142.2
[M]+ 190.05035142 137.1
[M]- 190.05144858 137.1
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