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]+ 246.16010 152.6
[M+Na]+ 268.14204 155.6
[M-H]- 244.14554 155.2
[M+NH4]+ 263.18664 159.6
[M+K]+ 284.11598 155.6
[M+H-H2O]+ 228.15008 147.6
[M+HCOO]- 290.15102 162.3
[M+CH3COO]- 304.16667 228.4
[M+Na-2H]- 266.12749 153.4
[M]+ 245.15227 149.9
[M]- 245.15337 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.