CID 61778891

3-(cyclobutylamino)benzonitrile

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1CC(C1)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C11H12N2/c12-8-9-3-1-6-11(7-9)13-10-4-2-5-10/h1,3,6-7,10,13H,2,4-5H2

InChIKey

PJYURDCNCGPZIN-UHFFFAOYSA-N

Compound name

3-(cyclobutylamino)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10005 Da
Monoisotopic Mass: 2.5
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]+	173.10733	142.5
[M+Na]+	195.08927	150.3
[M+NH4]+	190.13387	144.9
[M+K]+	211.06321	141.9
[M-H]-	171.09277	137.4
[M+Na-2H]-	193.07472	145.7
[M]+	172.09950	140.3
[M]-	172.10060	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe