CID 3048259

Pyrrolidinium, 1,2-dimethyl-1-(6-(trimethylammonio)hexyl)-, diiodide

Structural Information

Molecular Formula
C15H33N2
SMILES
CC1CCC(N1C)CCCCCC[N+](C)(C)C
InChI
InChI=1S/C15H33N2/c1-14-11-12-15(16(14)2)10-8-6-7-9-13-17(3,4)5/h14-15H,6-13H2,1-5H3/q+1
InChIKey
LRULWHWVKCBLMQ-UHFFFAOYSA-N
Compound name
6-(1,5-dimethylpyrrolidin-2-yl)hexyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.26437 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.27165 162.2
[M+Na]+ 264.25359 166.8
[M-H]- 240.25709 165.0
[M+NH4]+ 259.29819 181.3
[M+K]+ 280.22753 159.6
[M+H-H2O]+ 224.26163 158.4
[M+HCOO]- 286.26257 181.8
[M+CH3COO]- 300.27822 196.7
[M+Na-2H]- 262.23904 165.8
[M]+ 241.26382 162.3
[M]- 241.26492 162.3
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.