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

0
Patents

240.116 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12328 144.1
[M+Na]+ 263.10522 150.5
[M-H]- 239.10872 143.4
[M+NH4]+ 258.14982 163.5
[M+K]+ 279.07916 136.2
[M+H-H2O]+ 223.11326 144.8
[M+HCOO]- 285.11420 150.8
[M+CH3COO]- 299.12985 178.5
[M+Na-2H]- 261.09067 153.5
[M]+ 240.11545 141.0
[M]- 240.11655 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.