CID 117818198

Schembl16394406

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1CC(C1)NC(=O)C2=CC=CC=N2

InChI

InChI=1S/C10H12N2O/c13-10(12-8-4-3-5-8)9-6-1-2-7-11-9/h1-2,6-8H,3-5H2,(H,12,13)

InChIKey

FGGANNUSBMZDMT-UHFFFAOYSA-N

Compound name

N-cyclobutylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 176.09496 Da
Monoisotopic Mass: 0.8
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]+	177.10224	136.1
[M+Na]+	199.08418	140.6
[M-H]-	175.08768	140.8
[M+NH4]+	194.12878	147.7
[M+K]+	215.05812	141.9
[M+H-H2O]+	159.09222	123.0
[M+HCOO]-	221.09316	157.6
[M+CH3COO]-	235.10881	184.6
[M+Na-2H]-	197.06963	142.5
[M]+	176.09441	141.8
[M]-	176.09551	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe