CID 459511

78114-56-4

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCCCCCNC(=O)C1=CN=CC=C1
InChI
InChI=1S/C12H18N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3,(H,14,15)
InChIKey
QNWFROSVYQTOPU-UHFFFAOYSA-N
Compound name
N-hexylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

206.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.8
[M+Na]+ 229.13112 154.1
[M-H]- 205.13462 150.3
[M+NH4]+ 224.17572 166.0
[M+K]+ 245.10506 151.7
[M+H-H2O]+ 189.13916 141.2
[M+HCOO]- 251.14010 171.6
[M+CH3COO]- 265.15575 189.1
[M+Na-2H]- 227.11657 154.6
[M]+ 206.14135 149.6
[M]- 206.14245 149.6
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.