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
2
Annotation Hits

18
References

488
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.