CID 76629

1-octadecylpyridinium chloride

Structural Information

Molecular Formula
C23H42N
SMILES
CCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1
InChI
InChI=1S/C23H42N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22-23H,2-16,18,21H2,1H3/q+1
InChIKey
HIWVFNVUJDPDKS-UHFFFAOYSA-N
Compound name
1-octadecylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1486
Patents

332.33173 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.33901 194.6
[M+Na]+ 355.32095 196.0
[M-H]- 331.32445 194.2
[M+NH4]+ 350.36555 206.9
[M+K]+ 371.29489 185.0
[M+H-H2O]+ 315.32899 187.9
[M+HCOO]- 377.32993 212.8
[M+CH3COO]- 391.34558 210.0
[M+Na-2H]- 353.30640 197.2
[M]+ 332.33118 198.9
[M]- 332.33228 198.9
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