CID 74160

1609-21-8

Structural Information

Molecular Formula
C15H26N
SMILES
CCCCCCCCCC[N+]1=CC=CC=C1
InChI
InChI=1S/C15H26N/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3/q+1
InChIKey
MFMBELVKZWEQOM-UHFFFAOYSA-N
Compound name
1-decylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1349
Patents

220.20653 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.21381 157.7
[M+Na]+ 243.19575 162.6
[M-H]- 219.19925 158.9
[M+NH4]+ 238.24035 174.7
[M+K]+ 259.16969 153.8
[M+H-H2O]+ 203.20379 152.8
[M+HCOO]- 265.20473 178.7
[M+CH3COO]- 279.22038 186.0
[M+Na-2H]- 241.18120 164.9
[M]+ 220.20598 159.1
[M]- 220.20708 159.1
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