CID 17736

Myristylpyridinium chloride

Structural Information

Molecular Formula
C19H34N
SMILES
CCCCCCCCCCCCCC[N+]1=CC=CC=C1
InChI
InChI=1S/C19H34N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3/q+1
InChIKey
SIHFYNZIBKOFFK-UHFFFAOYSA-N
Compound name
1-tetradecylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

7286
Patents

276.26913 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.27641 176.3
[M+Na]+ 299.25835 179.4
[M-H]- 275.26185 176.7
[M+NH4]+ 294.30295 190.9
[M+K]+ 315.23229 169.6
[M+H-H2O]+ 259.26639 170.5
[M+HCOO]- 321.26733 195.9
[M+CH3COO]- 335.28298 198.0
[M+Na-2H]- 297.24380 181.2
[M]+ 276.26858 179.2
[M]- 276.26968 179.2
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