CID 459512

N-octylpyridine-3-carboxamide

Structural Information

Molecular Formula
C14H22N2O
SMILES
CCCCCCCCNC(=O)C1=CN=CC=C1
InChI
InChI=1S/C14H22N2O/c1-2-3-4-5-6-7-11-16-14(17)13-9-8-10-15-12-13/h8-10,12H,2-7,11H2,1H3,(H,16,17)
InChIKey
JSIDBRSPTZXMGO-UHFFFAOYSA-N
Compound name
N-octylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

234.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 157.9
[M+Na]+ 257.16244 162.4
[M-H]- 233.16594 159.0
[M+NH4]+ 252.20704 174.0
[M+K]+ 273.13638 159.4
[M+H-H2O]+ 217.17048 149.9
[M+HCOO]- 279.17142 180.0
[M+CH3COO]- 293.18707 195.2
[M+Na-2H]- 255.14789 162.6
[M]+ 234.17267 159.4
[M]- 234.17377 159.4
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