CID 200693

2520-50-5

Structural Information

Molecular Formula
C14H23N2O
SMILES
CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C14H22N2O/c1-2-3-4-5-6-7-10-16-11-8-9-13(12-16)14(15)17/h8-9,11-12H,2-7,10H2,1H3,(H-,15,17)/p+1
InChIKey
XWYBIHOQNIVTQE-UHFFFAOYSA-O
Compound name
1-octylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

235.18105 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.18833 158.8
[M+Na]+ 258.17027 164.1
[M-H]- 234.17377 160.1
[M+NH4]+ 253.21487 174.6
[M+K]+ 274.14421 155.3
[M+H-H2O]+ 218.17831 153.9
[M+HCOO]- 280.17925 180.0
[M+CH3COO]- 294.19490 189.4
[M+Na-2H]- 256.15572 164.0
[M]+ 235.18050 158.5
[M]- 235.18160 158.5
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

patents stripe