CID 215152

35096-61-8

Structural Information

Molecular Formula
C26H50N2O4
SMILES
C[N+]1(CCCC1)CC2COC(O2)CCCCCCCCC3OCC(O3)C[N+]4(CCCC4)C
InChI
InChI=1S/C26H50N2O4/c1-27(15-9-10-16-27)19-23-21-29-25(31-23)13-7-5-3-4-6-8-14-26-30-22-24(32-26)20-28(2)17-11-12-18-28/h23-26H,3-22H2,1-2H3/q+2
InChIKey
FZOZMSMJBAKKHO-UHFFFAOYSA-N
Compound name
1-methyl-1-[[2-[8-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]octyl]-1,3-dioxolan-4-yl]methyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.37704 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.38432 207.1
[M+Na]+ 477.36626 215.5
[M+NH4]+ 472.41086 217.2
[M+K]+ 493.34020 215.1
[M-H]- 453.36976 217.9
[M+Na-2H]- 475.35171 210.2
[M]+ 454.37649 212.1
[M]- 454.37759 212.1
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.