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 182.7
[M+Na]+ 333.32402 181.9
[M-H]- 309.32752 183.7
[M+NH4]+ 328.36862 197.4
[M+K]+ 349.29796 167.6
[M+H-H2O]+ 293.33206 178.4
[M+HCOO]- 355.33300 192.6
[M+CH3COO]- 369.34865 195.1
[M+Na-2H]- 331.30947 187.5
[M]+ 310.33425 173.6
[M]- 310.33535 173.6
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