CID 12389055

Dioxonium

Structural Information

Molecular Formula
C20H38N2O4
SMILES
C[N+]1(CCCC1)CC2COC(O2)CCC3OCC(O3)C[N+]4(CCCC4)C
InChI
InChI=1S/C20H38N2O4/c1-21(9-3-4-10-21)13-17-15-23-19(25-17)7-8-20-24-16-18(26-20)14-22(2)11-5-6-12-22/h17-20H,3-16H2,1-2H3/q+2
InChIKey
QMLMXJXINYOACD-UHFFFAOYSA-N
Compound name
1-methyl-1-[[2-[2-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

83
Patents

370.28317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29045 186.8
[M+Na]+ 393.27239 187.4
[M-H]- 369.27589 197.3
[M+NH4]+ 388.31699 200.0
[M+K]+ 409.24633 179.2
[M+H-H2O]+ 353.28043 187.2
[M+HCOO]- 415.28137 196.5
[M+CH3COO]- 429.29702 200.1
[M+Na-2H]- 391.25784 186.5
[M]+ 370.28262 181.7
[M]- 370.28372 181.7
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.