CID 6086691

104026-72-4

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C10H11N3O2/c1-7(8(2)14)12-13-10(15)9-3-5-11-6-4-9/h3-6H,1-2H3,(H,13,15)/b12-7+

InChIKey

CSUQREWQXOPTOF-KPKJPENVSA-N

Compound name

N-[(E)-3-oxobutan-2-ylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.08513 Da
Monoisotopic Mass: 0.5
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]+	206.09241	145.0
[M+Na]+	228.07435	154.6
[M+NH4]+	223.11895	151.2
[M+K]+	244.04829	150.3
[M-H]-	204.07785	146.1
[M+Na-2H]-	226.05980	150.7
[M]+	205.08458	146.2
[M]-	205.08568	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe