CID 218059

N,n'-dimethyl-n,n'-di-(2-acetoxyethyl)piperazinium dichloride

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CC(=O)OCC[N+]1(CC[N+](CC1)(C)CCOC(=O)C)C
InChI
InChI=1S/C14H28N2O4/c1-13(17)19-11-9-15(3)5-7-16(4,8-6-15)10-12-20-14(2)18/h5-12H2,1-4H3/q+2
InChIKey
DROFEMZRMHVQEO-UHFFFAOYSA-N
Compound name
2-[4-(2-acetyloxyethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.2049 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 164.1
[M+Na]+ 311.19412 168.8
[M-H]- 287.19762 164.5
[M+NH4]+ 306.23872 180.6
[M+K]+ 327.16806 157.6
[M+H-H2O]+ 271.20216 163.6
[M+HCOO]- 333.20310 178.4
[M+CH3COO]- 347.21875 186.5
[M+Na-2H]- 309.17957 171.5
[M]+ 288.20435 163.0
[M]- 288.20545 163.0
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.