CID 203920

15483-62-2

Structural Information

Molecular Formula
C22H42N2O4
SMILES
C[N+]1(CCCCC1)CC2COC(O2)CCC3OCC(O3)C[N+]4(CCCCC4)C
InChI
InChI=1S/C22H42N2O4/c1-23(11-5-3-6-12-23)15-19-17-25-21(27-19)9-10-22-26-18-20(28-22)16-24(2)13-7-4-8-14-24/h19-22H,3-18H2,1-2H3/q+2
InChIKey
ZPVUHNJPKLKEET-UHFFFAOYSA-N
Compound name
1-methyl-1-[[2-[2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.31445 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.32173 197.9
[M+Na]+ 421.30367 196.2
[M-H]- 397.30717 206.9
[M+NH4]+ 416.34827 206.3
[M+K]+ 437.27761 186.9
[M+H-H2O]+ 381.31171 194.4
[M+HCOO]- 443.31265 202.4
[M+CH3COO]- 457.32830 205.4
[M+Na-2H]- 419.28912 198.7
[M]+ 398.31390 188.8
[M]- 398.31500 188.8
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.