CID 80134474

1807940-86-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1C(CC1N)C2=CC=CC(=C2)C#N

InChI

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

InChIKey

RBNRJHLUZARTOM-UHFFFAOYSA-N

Compound name

3-(3-aminocyclobutyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.10005 Da
Monoisotopic Mass: 1.3
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	142.1
[M+Na]+	195.08927	149.9
[M+NH4]+	190.13387	144.4
[M+K]+	211.06321	141.9
[M-H]-	171.09277	136.9
[M+Na-2H]-	193.07472	144.7
[M]+	172.09950	139.9
[M]-	172.10060	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.