CID 3066836

1,4-diethyl-1-methyl-4-undecylpiperazinium diiodide

Structural Information

Molecular Formula
C20H44N2
SMILES
CCCCCCCCCCC[N+]1(CC[N+](CC1)(C)CC)CC
InChI
InChI=1S/C20H44N2/c1-5-8-9-10-11-12-13-14-15-16-22(7-3)19-17-21(4,6-2)18-20-22/h5-20H2,1-4H3/q+2
InChIKey
KEIHMXNFTXAWFE-UHFFFAOYSA-N
Compound name
1,4-diethyl-1-methyl-4-undecylpiperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.35046 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.35774 179.9
[M+Na]+ 335.33968 182.1
[M-H]- 311.34318 179.0
[M+NH4]+ 330.38428 195.9
[M+K]+ 351.31362 168.0
[M+H-H2O]+ 295.34772 177.9
[M+HCOO]- 357.34866 193.0
[M+CH3COO]- 371.36431 199.5
[M+Na-2H]- 333.32513 185.6
[M]+ 312.34991 178.2
[M]- 312.35101 178.2
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.