CID 54593493

N-(1-cyanocyclobutyl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

C1CC(C1)(C#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O/c13-9-12(7-4-8-12)14-11(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2,(H,14,15)

InChIKey

LLAQLGZLXTVCPA-UHFFFAOYSA-N

Compound name

N-(1-cyanocyclobutyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.09496 Da
Monoisotopic Mass: 1.7
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]+	201.10224	149.9
[M+Na]+	223.08418	156.6
[M+NH4]+	218.12878	152.5
[M+K]+	239.05812	147.4
[M-H]-	199.08768	143.8
[M+Na-2H]-	221.06963	153.4
[M]+	200.09441	147.3
[M]-	200.09551	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe