CID 3048563

Piperidinium, 1,1'-oxydiethylenebis(1-ethyl-, dibromide

Structural Information

Molecular Formula
C18H38N2O
SMILES
CC[N+]1(CCCCC1)CCOCC[N+]2(CCCCC2)CC
InChI
InChI=1S/C18H38N2O/c1-3-19(11-7-5-8-12-19)15-17-21-18-16-20(4-2)13-9-6-10-14-20/h3-18H2,1-2H3/q+2
InChIKey
JLDIGAFBAUKYGP-UHFFFAOYSA-N
Compound name
1-ethyl-1-[2-[2-(1-ethylpiperidin-1-ium-1-yl)ethoxy]ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

298.2984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.30568 177.8
[M+Na]+ 321.28762 177.8
[M-H]- 297.29112 179.2
[M+NH4]+ 316.33222 193.0
[M+K]+ 337.26156 164.4
[M+H-H2O]+ 281.29566 173.9
[M+HCOO]- 343.29660 188.6
[M+CH3COO]- 357.31225 190.9
[M+Na-2H]- 319.27307 183.9
[M]+ 298.29785 169.4
[M]- 298.29895 169.4
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