CID 201020

1-(2-(dicyclohexylamino)ethyl)-1-methyl-pyrrolidinium bromide

Structural Information

Molecular Formula
C19H37N2
SMILES
C[N+]1(CCCC1)CCN(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C19H37N2/c1-21(15-8-9-16-21)17-14-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h18-19H,2-17H2,1H3/q+1
InChIKey
CQCYSFIVWDXVIH-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.2957 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.30298 177.6
[M+Na]+ 316.28492 174.8
[M-H]- 292.28842 183.7
[M+NH4]+ 311.32952 193.9
[M+K]+ 332.25886 166.6
[M+H-H2O]+ 276.29296 170.2
[M+HCOO]- 338.29390 190.4
[M+CH3COO]- 352.30955 199.6
[M+Na-2H]- 314.27037 177.1
[M]+ 293.29515 164.5
[M]- 293.29625 164.5
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

No patent data available for this compound.