CID 3048253

Pyrrolidinium, 1,1'-decamethylenebis(1-methyl-, diiodide

Structural Information

Molecular Formula
C20H42N2
SMILES
C[N+]1(CCCC1)CCCCCCCCCC[N+]2(CCCC2)C
InChI
InChI=1S/C20H42N2/c1-21(17-11-12-18-21)15-9-7-5-3-4-6-8-10-16-22(2)19-13-14-20-22/h3-20H2,1-2H3/q+2
InChIKey
ZFKUAQAUROHDKG-UHFFFAOYSA-N
Compound name
1-methyl-1-[10-(1-methylpyrrolidin-1-ium-1-yl)decyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.3348 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.342076 182.5
[M+Na]+ 333.324018 183.6
[M-H]- 309.327524 184.3
[M+NH4]+ 328.368623 200.9
[M+K]+ 349.297958 169.4
[M+H-H2O]+ 293.332060 179.2
[M+HCOO]- 355.333001 196.9
[M+CH3COO]- 369.348651 194.8
[M+Na-2H]- 331.309466 185.0
[M]+ 310.33425142 177.5
[M]- 310.33534858 177.5
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

patents stripe