CID 3048212

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

Structural Information

Molecular Formula
C16H34N2O
SMILES
CC[N+]1(CCCC1)CCOCC[N+]2(CCCC2)CC
InChI
InChI=1S/C16H34N2O/c1-3-17(9-5-6-10-17)13-15-19-16-14-18(4-2)11-7-8-12-18/h3-16H2,1-2H3/q+2
InChIKey
KALZXPBSNOOTOR-UHFFFAOYSA-N
Compound name
1-ethyl-1-[2-[2-(1-ethylpyrrolidin-1-ium-1-yl)ethoxy]ethyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.26712 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.27440 167.9
[M+Na]+ 293.25634 179.2
[M+NH4]+ 288.30094 180.4
[M+K]+ 309.23028 172.7
[M-H]- 269.25984 172.7
[M+Na-2H]- 291.24179 175.5
[M]+ 270.26657 171.6
[M]- 270.26767 171.6
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