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

3
Annotation Hits: 11
References: 53
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]+	190.097486	141.0
[M+Na]+	212.079428	147.5
[M-H]-	188.082934	144.4
[M+NH4]+	207.124033	159.2
[M+K]+	228.053368	145.2
[M+H-H2O]+	172.087470	133.3
[M+HCOO]-	234.088411	167.4
[M+CH3COO]-	248.104061	187.5
[M+Na-2H]-	210.064876	148.7
[M]+	189.08966142	140.6
[M]-	189.09075858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe