CID 27256

15407-81-5

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

2
Annotation Hits: 6
References: 7
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]+	218.12878	150.1
[M+Na]+	240.11072	160.7
[M+NH4]+	235.15532	158.1
[M+K]+	256.08466	153.9
[M-H]-	216.11422	154.6
[M+Na-2H]-	238.09617	158.1
[M]+	217.12095	152.5
[M]-	217.12205	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe