CID 24845614

102280-70-6

Structural Information

Molecular Formula

C₂₁H₄₀N₂O₄

SMILES

CC1(OCC(O1)C[N+]2(CCCC2)C)CCC3OCC(O3)C[N+]4(CCCC4)C

InChI

InChI=1S/C21H40N2O4/c1-21(25-17-19(27-21)15-23(3)12-6-7-13-23)9-8-20-24-16-18(26-20)14-22(2)10-4-5-11-22/h18-20H,4-17H2,1-3H3/q+2

InChIKey

BJCIVKVXRXPAJO-UHFFFAOYSA-N

Compound name

1-methyl-1-[[2-[2-[2-methyl-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: 0
References: 0
Patents: 384.2988 Da
Monoisotopic Mass: 1.6
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]+	385.306076	187.0
[M+Na]+	407.288018	188.2
[M-H]-	383.291524	197.6
[M+NH4]+	402.332623	201.6
[M+K]+	423.261958	180.1
[M+H-H2O]+	367.296060	187.8
[M+HCOO]-	429.297001	196.5
[M+CH3COO]-	443.312651	202.6
[M+Na-2H]-	405.273466	187.8
[M]+	384.29825142	182.7
[M]-	384.29934858	182.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.