CID 70522

1,4-bis(2-chloroethyl)piperazine

Structural Information

Molecular Formula
C8H16Cl2N2
SMILES
C1CN(CCN1CCCl)CCCl
InChI
InChI=1S/C8H16Cl2N2/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-8H2
InChIKey
JPFYIYQIGQYIMC-UHFFFAOYSA-N
Compound name
1,4-bis(2-chloroethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

210.06906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07634 145.1
[M+Na]+ 233.05828 151.6
[M-H]- 209.06178 143.8
[M+NH4]+ 228.10288 162.3
[M+K]+ 249.03222 147.3
[M+H-H2O]+ 193.06632 138.6
[M+HCOO]- 255.06726 153.1
[M+CH3COO]- 269.08291 184.6
[M+Na-2H]- 231.04373 148.7
[M]+ 210.06851 144.1
[M]- 210.06961 144.1
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