CID 27256

N'-cyclohexylideneisonicotinohydrazide

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

C1CCC(=NNC(=O)C2=CC=NC=C2)CC1

InChI

InChI=1S/C12H15N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h6-9H,1-5H2,(H,15,16)

InChIKey

NGFVJSNUQFGXDF-UHFFFAOYSA-N

Compound name

N-(cyclohexylideneamino)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 11
Patents: 217.1215 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.128776	147.9
[M+Na]+	240.110718	151.3
[M-H]-	216.114224	153.3
[M+NH4]+	235.155323	164.2
[M+K]+	256.084658	149.0
[M+H-H2O]+	200.118760	138.9
[M+HCOO]-	262.119701	170.5
[M+CH3COO]-	276.135351	191.9
[M+Na-2H]-	238.096166	154.2
[M]+	217.12095142	142.1
[M]-	217.12204858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe