CID 3048298

63887-43-4

Structural Information

Molecular Formula
C20H42N2
SMILES
CC[N+]1(CCCCC1)CCCCCC[N+]2(CCCCC2)CC
InChI
InChI=1S/C20H42N2/c1-3-21(17-11-7-12-18-21)15-9-5-6-10-16-22(4-2)19-13-8-14-20-22/h3-20H2,1-2H3/q+2
InChIKey
NUUKKJWGGVFESS-UHFFFAOYSA-N
Compound name
1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

310.3348 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.34208 183.6
[M+Na]+ 333.32402 196.8
[M+NH4]+ 328.36862 196.6
[M+K]+ 349.29796 184.7
[M-H]- 309.32752 190.3
[M+Na-2H]- 331.30947 192.4
[M]+ 310.33425 188.4
[M]- 310.33535 188.4
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