CID 71498

Dicolinium iodide

Structural Information

Molecular Formula
C16H34N2O2
SMILES
CC[N+](C)(CC)CCOC(=O)C1CCCC([N+]1(C)C)C
InChI
InChI=1S/C16H34N2O2/c1-7-18(6,8-2)12-13-20-16(19)15-11-9-10-14(3)17(15,4)5/h14-15H,7-13H2,1-6H3/q+2
InChIKey
YMGPQLQONLLWJR-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-(1,1,6-trimethylpiperidin-1-ium-2-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

466
Patents

286.26202 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.26930 166.4
[M+Na]+ 309.25124 170.4
[M-H]- 285.25474 169.4
[M+NH4]+ 304.29584 183.4
[M+K]+ 325.22518 158.7
[M+H-H2O]+ 269.25928 166.1
[M+HCOO]- 331.26022 182.6
[M+CH3COO]- 345.27587 196.1
[M+Na-2H]- 307.23669 173.7
[M]+ 286.26147 164.7
[M]- 286.26257 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe