CID 459513

N-decylpyridine-3-carboxamide

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCCCCCCCCCNC(=O)C1=CN=CC=C1
InChI
InChI=1S/C16H26N2O/c1-2-3-4-5-6-7-8-9-13-18-16(19)15-11-10-12-17-14-15/h10-12,14H,2-9,13H2,1H3,(H,18,19)
InChIKey
STKCVSYDRUHCAT-UHFFFAOYSA-N
Compound name
N-decylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

262.2045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 167.0
[M+Na]+ 285.19372 170.5
[M-H]- 261.19722 167.7
[M+NH4]+ 280.23832 181.8
[M+K]+ 301.16766 167.0
[M+H-H2O]+ 245.20176 158.5
[M+HCOO]- 307.20270 188.3
[M+CH3COO]- 321.21835 201.2
[M+Na-2H]- 283.17917 170.5
[M]+ 262.20395 169.2
[M]- 262.20505 169.2
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