CID 202702

Isonicotinic acid, cyclooctylidenehydrazide

Structural Information

Molecular Formula
C14H19N3O
SMILES
C1CCCC(=NNC(=O)C2=CC=NC=C2)CCC1
InChI
InChI=1S/C14H19N3O/c18-14(12-8-10-15-11-9-12)17-16-13-6-4-2-1-3-5-7-13/h8-11H,1-7H2,(H,17,18)
InChIKey
FLUAKETWIMTOQB-UHFFFAOYSA-N
Compound name
N-(cyclooctylideneamino)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 152.6
[M+Na]+ 268.142038 155.6
[M-H]- 244.145544 155.2
[M+NH4]+ 263.186643 159.6
[M+K]+ 284.115978 155.6
[M+H-H2O]+ 228.150080 147.6
[M+HCOO]- 290.151021 162.3
[M+CH3COO]- 304.166671 228.4
[M+Na-2H]- 266.127486 153.4
[M]+ 245.15227142 149.9
[M]- 245.15336858 149.9
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

No patent data available for this compound.