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 167.1
[M+Na]+ 311.19412 179.3
[M+NH4]+ 306.23872 177.1
[M+K]+ 327.16806 172.2
[M-H]- 287.19762 169.0
[M+Na-2H]- 309.17957 173.5
[M]+ 288.20435 170.1
[M]- 288.20545 170.1
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

No patent data available for this compound.