CID 5369886

Crotoniazide

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

C/C=C/C=N/NC(=O)C1=CC=NC=C1

InChI

InChI=1S/C10H11N3O/c1-2-3-6-12-13-10(14)9-4-7-11-8-5-9/h2-8H,1H3,(H,13,14)/b3-2+,12-6+

InChIKey

YLWYNCPRXFCNLQ-WYIUXTECSA-N

Compound name

N-[(E)-[(E)-but-2-enylidene]amino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 40
Patents: 189.09021 Da
Monoisotopic Mass: 0.9
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]+	190.09749	142.3
[M+Na]+	212.07943	153.1
[M+NH4]+	207.12403	149.3
[M+K]+	228.05337	146.5
[M-H]-	188.08293	144.2
[M+Na-2H]-	210.06488	149.0
[M]+	189.08966	144.0
[M]-	189.09076	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe