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

58
Patents

212.22525 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.23253 151.5
[M+Na]+ 235.21447 155.7
[M-H]- 211.21797 154.7
[M+NH4]+ 230.25907 173.9
[M+K]+ 251.18841 143.2
[M+H-H2O]+ 195.22251 149.5
[M+HCOO]- 257.22345 168.3
[M+CH3COO]- 271.23910 174.4
[M+Na-2H]- 233.19992 157.6
[M]+ 212.22470 144.2
[M]- 212.22580 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