CID 201564

6266-40-6

Structural Information

Molecular Formula
C20H30N2
SMILES
C1=CC=[N+](C=C1)CCCCCCCCCC[N+]2=CC=CC=C2
InChI
InChI=1S/C20H30N2/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22/h7-8,11-14,17-20H,1-6,9-10,15-16H2/q+2
InChIKey
UONDTBVSZIDJKA-UHFFFAOYSA-N
Compound name
1-(10-pyridin-1-ium-1-yldecyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

298.2409 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.24818 175.3
[M+Na]+ 321.23012 193.5
[M+NH4]+ 316.27472 185.5
[M+K]+ 337.20406 183.9
[M-H]- 297.23362 182.9
[M+Na-2H]- 319.21557 186.4
[M]+ 298.24035 180.9
[M]- 298.24145 180.9
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