CID 75675

2534-66-9

Structural Information

Molecular Formula
C13H22N
SMILES
CCCCCCCC[N+]1=CC=CC=C1
InChI
InChI=1S/C13H22N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3/q+1
InChIKey
XDEQOBPALZZTCA-UHFFFAOYSA-N
Compound name
1-octylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

2234
Patents

192.17523 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.18251 148.3
[M+Na]+ 215.16445 154.1
[M-H]- 191.16795 149.9
[M+NH4]+ 210.20905 166.4
[M+K]+ 231.13839 145.8
[M+H-H2O]+ 175.17249 143.9
[M+HCOO]- 237.17343 170.0
[M+CH3COO]- 251.18908 179.9
[M+Na-2H]- 213.14990 156.6
[M]+ 192.17468 149.0
[M]- 192.17578 149.0
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