CID 407341

Piperidinium, 3,3'-(tetradecamethylenedioxy)bis(1,1-dimethyl-, dibromide

Structural Information

Molecular Formula
C28H58N2O2
SMILES
C[N+]1(CCCC(C1)OCCCCCCCCCCCCCCOC2CCC[N+](C2)(C)C)C
InChI
InChI=1S/C28H58N2O2/c1-29(2)21-17-19-27(25-29)31-23-15-13-11-9-7-5-6-8-10-12-14-16-24-32-28-20-18-22-30(3,4)26-28/h27-28H,5-26H2,1-4H3/q+2
InChIKey
CERPRAKKBOGKBI-UHFFFAOYSA-N
Compound name
3-[14-(1,1-dimethylpiperidin-1-ium-3-yl)oxytetradecoxy]-1,1-dimethylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.44983 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.45711 222.0
[M+Na]+ 477.43905 219.5
[M-H]- 453.44255 222.0
[M+NH4]+ 472.48365 231.3
[M+K]+ 493.41299 204.2
[M+H-H2O]+ 437.44709 216.8
[M+HCOO]- 499.44803 229.5
[M+CH3COO]- 513.46368 223.7
[M+Na-2H]- 475.42450 222.3
[M]+ 454.44928 219.1
[M]- 454.45038 219.1
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

No patent data available for this compound.