CID 3048565

Piperidinium, 1,1'-oxydiethylenebis(1-methyl-, diiodide

Structural Information

Molecular Formula
C16H34N2O
SMILES
C[N+]1(CCCCC1)CCOCC[N+]2(CCCCC2)C
InChI
InChI=1S/C16H34N2O/c1-17(9-5-3-6-10-17)13-15-19-16-14-18(2)11-7-4-8-12-18/h3-16H2,1-2H3/q+2
InChIKey
IANAEAHDOBWSGL-UHFFFAOYSA-N
Compound name
1-methyl-1-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 169.1
[M+Na]+ 293.25634 170.0
[M-H]- 269.25984 170.9
[M+NH4]+ 288.30094 185.4
[M+K]+ 309.23028 157.0
[M+H-H2O]+ 253.26438 165.6
[M+HCOO]- 315.26532 180.6
[M+CH3COO]- 329.28097 185.1
[M+Na-2H]- 291.24179 176.2
[M]+ 270.26657 160.0
[M]- 270.26767 160.0
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