CID 3048014

Dwubromek bis(beta-metylopirolidynio-etylo)metylaminy [polish]

Structural Information

Molecular Formula
C15H33N3
SMILES
CN(CC[N+]1(CCCC1)C)CC[N+]2(CCCC2)C
InChI
InChI=1S/C15H33N3/c1-16(8-14-17(2)10-4-5-11-17)9-15-18(3)12-6-7-13-18/h4-15H2,1-3H3/q+2
InChIKey
RIMWSOMYCMTYDW-UHFFFAOYSA-N
Compound name
N-methyl-2-(1-methylpyrrolidin-1-ium-1-yl)-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.26744 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.27472 161.2
[M+Na]+ 278.25666 163.7
[M-H]- 254.26016 165.3
[M+NH4]+ 273.30126 182.1
[M+K]+ 294.23060 151.9
[M+H-H2O]+ 238.26470 158.5
[M+HCOO]- 300.26564 178.8
[M+CH3COO]- 314.28129 187.8
[M+Na-2H]- 276.24211 166.5
[M]+ 255.26689 155.0
[M]- 255.26799 155.0
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

No patent data available for this compound.