CID 203920

1,1'-(ethylenebis(1,3-dioxolane-2,4-diylmethylene))bis(1-methylpiperidinium) diiodide

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	399.321726	197.9
[M+Na]+	421.303668	196.2
[M-H]-	397.307174	206.9
[M+NH4]+	416.348273	206.3
[M+K]+	437.277608	186.9
[M+H-H2O]+	381.311710	194.4
[M+HCOO]-	443.312651	202.4
[M+CH3COO]-	457.328301	205.4
[M+Na-2H]-	419.289116	198.7
[M]+	398.31390142	188.8
[M]-	398.31499858	188.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.