CID 114366

Piperazinium, 1,4-bis(2-chloroethyl)-1,4-dimethyl-, dichloride

Structural Information

Molecular Formula
C10H22Cl2N2
SMILES
C[N+]1(CC[N+](CC1)(C)CCCl)CCCl
InChI
InChI=1S/C10H22Cl2N2/c1-13(5-3-11)7-9-14(2,6-4-12)10-8-13/h3-10H2,1-2H3/q+2
InChIKey
BCVQWHWILUCUOU-UHFFFAOYSA-N
Compound name
1,4-bis(2-chloroethyl)-1,4-dimethylpiperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

240.116 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.123276 144.1
[M+Na]+ 263.105218 150.5
[M-H]- 239.108724 143.4
[M+NH4]+ 258.149823 163.5
[M+K]+ 279.079158 136.2
[M+H-H2O]+ 223.113260 144.8
[M+HCOO]- 285.114201 150.8
[M+CH3COO]- 299.129851 178.5
[M+Na-2H]- 261.090666 153.5
[M]+ 240.11545142 141.0
[M]- 240.11654858 141.0
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

No patent data available for this compound.