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]+ 403.353036 203.4
[M+Na]+ 425.334978 203.4
[M-H]- 401.338484 212.8
[M+NH4]+ 420.379583 213.0
[M+K]+ 441.308918 195.3
[M+H-H2O]+ 385.343020 203.3
[M+HCOO]- 447.343961 218.1
[M+CH3COO]- 461.359611 221.8
[M+Na-2H]- 423.320426 211.0
[M]+ 402.34521142 207.1
[M]- 402.34630858 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.