CID 3048201

Pyrrolidinium, 1-ethyl-2-methyl-1-(6-(triethylammonio)hexyl)-, diiodide

Structural Information

Molecular Formula
C19H41N2
SMILES
CCN1C(CCC1CCCCCC[N+](CC)(CC)CC)C
InChI
InChI=1S/C19H41N2/c1-6-20-18(5)15-16-19(20)14-12-10-11-13-17-21(7-2,8-3)9-4/h18-19H,6-17H2,1-5H3/q+1
InChIKey
GFDLDJCLJVBJKP-UHFFFAOYSA-N
Compound name
triethyl-[6-(1-ethyl-5-methylpyrrolidin-2-yl)hexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.32697 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.33425 180.8
[M+Na]+ 320.31619 183.6
[M-H]- 296.31969 182.8
[M+NH4]+ 315.36079 197.6
[M+K]+ 336.29013 175.4
[M+H-H2O]+ 280.32423 176.2
[M+HCOO]- 342.32517 199.0
[M+CH3COO]- 356.34082 208.7
[M+Na-2H]- 318.30164 182.3
[M]+ 297.32642 182.3
[M]- 297.32752 182.3
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.