CID 3048219

63886-24-8

Structural Information

Molecular Formula
C13H28N2
SMILES
C[N+]1(CCCC1)CCC[N+]2(CCCC2)C
InChI
InChI=1S/C13H28N2/c1-14(8-3-4-9-14)12-7-13-15(2)10-5-6-11-15/h3-13H2,1-2H3/q+2
InChIKey
NFFOLIQWEZIJIO-UHFFFAOYSA-N
Compound name
1-methyl-1-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

212.22525 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.232526 151.5
[M+Na]+ 235.214468 155.7
[M-H]- 211.217974 154.7
[M+NH4]+ 230.259073 173.9
[M+K]+ 251.188408 143.2
[M+H-H2O]+ 195.222510 149.5
[M+HCOO]- 257.223451 168.3
[M+CH3COO]- 271.239101 174.4
[M+Na-2H]- 233.199916 157.6
[M]+ 212.22470142 144.2
[M]- 212.22579858 144.2
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