CID 215150

1,3-dioxolane-4-methanaminium, 2,2'-(1,8-octanediyl)bis(n,n,n-trimethyl-, diiodide

Structural Information

Molecular Formula
C22H46N2O4
SMILES
C[N+](C)(C)CC1COC(O1)CCCCCCCCC2OCC(O2)C[N+](C)(C)C
InChI
InChI=1S/C22H46N2O4/c1-23(2,3)15-19-17-25-21(27-19)13-11-9-7-8-10-12-14-22-26-18-20(28-22)16-24(4,5)6/h19-22H,7-18H2,1-6H3/q+2
InChIKey
LQCFYTOSGHQQTO-UHFFFAOYSA-N
Compound name
trimethyl-[[2-[8-[4-[(trimethylazaniumyl)methyl]-1,3-dioxolan-2-yl]octyl]-1,3-dioxolan-4-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.34576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.35304 203.4
[M+Na]+ 425.33498 203.4
[M-H]- 401.33848 212.8
[M+NH4]+ 420.37958 213.0
[M+K]+ 441.30892 195.3
[M+H-H2O]+ 385.34302 203.3
[M+HCOO]- 447.34396 218.1
[M+CH3COO]- 461.35961 221.8
[M+Na-2H]- 423.32043 211.0
[M]+ 402.34521 207.1
[M]- 402.34631 207.1
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.