CID 2734173

1-hexylpyridinium chloride

Structural Information

Molecular Formula
C11H18N
SMILES
CCCCCC[N+]1=CC=CC=C1
InChI
InChI=1S/C11H18N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3/q+1
InChIKey
AMKUSFIBHAUBIJ-UHFFFAOYSA-N
Compound name
1-hexylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

3983
Patents

164.14392 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.15120 138.8
[M+Na]+ 187.13314 145.5
[M-H]- 163.13664 140.8
[M+NH4]+ 182.17774 158.1
[M+K]+ 203.10708 137.8
[M+H-H2O]+ 147.14118 134.9
[M+HCOO]- 209.14212 161.2
[M+CH3COO]- 223.15777 173.9
[M+Na-2H]- 185.11859 148.2
[M]+ 164.14337 138.8
[M]- 164.14447 138.8
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