CID 75339

Cetylpicolinium bromide

Structural Information

Molecular Formula
C22H40N
SMILES
CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C
InChI
InChI=1S/C22H40N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-22(2)18-21-23/h17-18,20-21H,3-16,19H2,1-2H3/q+1
InChIKey
PFAUBIHDAOTBBK-UHFFFAOYSA-N
Compound name
1-hexadecyl-4-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

318.31607 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.32335 189.7
[M+Na]+ 341.30529 192.4
[M-H]- 317.30879 189.8
[M+NH4]+ 336.34989 202.9
[M+K]+ 357.27923 181.8
[M+H-H2O]+ 301.31333 183.5
[M+HCOO]- 363.31427 208.2
[M+CH3COO]- 377.32992 208.0
[M+Na-2H]- 339.29074 192.2
[M]+ 318.31552 194.0
[M]- 318.31662 194.0
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

patents stripe