CID 68482577

3-(1-aminocyclobutyl)benzonitrile hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

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

InChI

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

InChIKey

WCFJXBIEYYVHNA-UHFFFAOYSA-N

Compound name

3-(1-aminocyclobutyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 172.10005 Da
Monoisotopic Mass: 1.2
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	141.1
[M+Na]+	195.08927	148.7
[M+NH4]+	190.13387	144.6
[M+K]+	211.06321	139.2
[M-H]-	171.09277	135.8
[M+Na-2H]-	193.07472	145.2
[M]+	172.09950	139.0
[M]-	172.10060	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe