CID 203870

15407-83-7

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

CC1CCC(=NNC(=O)C2=CC=NC=C2)CC1

InChI

InChI=1S/C13H17N3O/c1-10-2-4-12(5-3-10)15-16-13(17)11-6-8-14-9-7-11/h6-10H,2-5H2,1H3,(H,16,17)

InChIKey

SLBNEHOMJBNFJF-UHFFFAOYSA-N

Compound name

N-[(4-methylcyclohexylidene)amino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1
Patents: 231.13716 Da
Monoisotopic Mass: 1.6
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]+	232.14444	154.3
[M+Na]+	254.12638	165.1
[M+NH4]+	249.17098	162.2
[M+K]+	270.10032	158.2
[M-H]-	230.12988	158.8
[M+Na-2H]-	252.11183	161.8
[M]+	231.13661	156.8
[M]-	231.13771	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe