CID 200563

2255-01-8

Structural Information

Molecular Formula
C15H25N2O
SMILES
CCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C15H24N2O/c1-2-3-4-5-6-7-8-11-17-12-9-10-14(13-17)15(16)18/h9-10,12-13H,2-8,11H2,1H3,(H-,16,18)/p+1
InChIKey
HTNLHKMRPSLNJI-UHFFFAOYSA-O
Compound name
1-nonylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.19669 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.20397 163.5
[M+Na]+ 272.18591 168.3
[M-H]- 248.18941 164.6
[M+NH4]+ 267.23051 178.7
[M+K]+ 288.15985 159.3
[M+H-H2O]+ 232.19395 158.4
[M+HCOO]- 294.19489 184.3
[M+CH3COO]- 308.21054 192.5
[M+Na-2H]- 270.17136 168.1
[M]+ 249.19614 163.5
[M]- 249.19724 163.5
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

No patent data available for this compound.