CID 83826643

(2-cyclobutylphenyl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CC(C1)C2=CC=CC=C2CN

InChI

InChI=1S/C11H15N/c12-8-10-4-1-2-7-11(10)9-5-3-6-9/h1-2,4,7,9H,3,5-6,8,12H2

InChIKey

AFUPAKRAKPUPHE-UHFFFAOYSA-N

Compound name

(2-cyclobutylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.12045 Da
Monoisotopic Mass: 2.2
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]+	162.12773	134.4
[M+Na]+	184.10967	142.4
[M+NH4]+	179.15427	140.3
[M+K]+	200.08361	137.1
[M-H]-	160.11317	136.6
[M+Na-2H]-	182.09512	140.3
[M]+	161.11990	135.0
[M]-	161.12100	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe