CID 3066869

505 hc

Structural Information

Molecular Formula
C20H42N2O2
SMILES
CC[N+]1(CCCCC1)CCOCCOCC[N+]2(CCCCC2)CC
InChI
InChI=1S/C20H42N2O2/c1-3-21(11-7-5-8-12-21)15-17-23-19-20-24-18-16-22(4-2)13-9-6-10-14-22/h3-20H2,1-2H3/q+2
InChIKey
IWBDCLQQKKRKCN-UHFFFAOYSA-N
Compound name
1-ethyl-1-[2-[2-[2-(1-ethylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.32462 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.33190 190.0
[M+Na]+ 365.31384 189.0
[M-H]- 341.31734 190.9
[M+NH4]+ 360.35844 203.2
[M+K]+ 381.28778 175.6
[M+H-H2O]+ 325.32188 185.5
[M+HCOO]- 387.32282 200.2
[M+CH3COO]- 401.33847 198.6
[M+Na-2H]- 363.29929 195.2
[M]+ 342.32407 183.6
[M]- 342.32517 183.6
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