CID 548540

63884-24-2

Structural Information

Molecular Formula
C12H26Cl2N2
SMILES
CC[N+]1(CC[N+](CC1)(CC)CCCl)CCCl
InChI
InChI=1S/C12H26Cl2N2/c1-3-15(7-5-13)9-11-16(4-2,8-6-14)12-10-15/h3-12H2,1-2H3/q+2
InChIKey
HFJRIRJYGLMQCG-UHFFFAOYSA-N
Compound name
1,4-bis(2-chloroethyl)-1,4-diethylpiperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15458 153.1
[M+Na]+ 291.13652 158.7
[M-H]- 267.14002 152.1
[M+NH4]+ 286.18112 171.5
[M+K]+ 307.11046 143.9
[M+H-H2O]+ 251.14456 153.4
[M+HCOO]- 313.14550 159.2
[M+CH3COO]- 327.16115 184.3
[M+Na-2H]- 289.12197 161.4
[M]+ 268.14675 150.8
[M]- 268.14785 150.8
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

No patent data available for this compound.