CID 204197

Piperidinium, 1,1'-pentamethylenebis(1-butyl-, dibromide

Structural Information

Molecular Formula
C23H48N2
SMILES
CCCC[N+]1(CCCCC1)CCCCC[N+]2(CCCCC2)CCCC
InChI
InChI=1S/C23H48N2/c1-3-5-16-24(18-10-7-11-19-24)22-14-9-15-23-25(17-6-4-2)20-12-8-13-21-25/h3-23H2,1-2H3/q+2
InChIKey
WDMGZKNFUNHUNP-UHFFFAOYSA-N
Compound name
1-butyl-1-[5-(1-butylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.38174 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.38902 195.6
[M+Na]+ 375.37096 193.5
[M-H]- 351.37446 195.9
[M+NH4]+ 370.41556 208.5
[M+K]+ 391.34490 178.4
[M+H-H2O]+ 335.37900 190.7
[M+HCOO]- 397.37994 204.5
[M+CH3COO]- 411.39559 203.8
[M+Na-2H]- 373.35641 198.8
[M]+ 352.38119 187.4
[M]- 352.38229 187.4
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

patents stripe