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

1
Patents

190.0509 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05818 138.3
[M+Na]+ 213.04012 145.4
[M-H]- 189.04362 138.3
[M+NH4]+ 208.08472 155.8
[M+K]+ 229.01406 142.9
[M+H-H2O]+ 173.04816 131.8
[M+HCOO]- 235.04910 151.7
[M+CH3COO]- 249.06475 179.2
[M+Na-2H]- 211.02557 142.2
[M]+ 190.05035 137.1
[M]- 190.05145 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