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 168.5
[M+Na]+ 293.25634 171.3
[M-H]- 269.25984 171.1
[M+NH4]+ 288.30094 188.5
[M+K]+ 309.23028 158.4
[M+H-H2O]+ 253.26438 166.0
[M+HCOO]- 315.26532 184.4
[M+CH3COO]- 329.28097 184.9
[M+Na-2H]- 291.24179 173.3
[M]+ 270.26657 163.6
[M]- 270.26767 163.6
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